[1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

C121H167N7O13 — CID 160875500

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc(C)c(C)c2)C1.CCCN1CCCC(C(=O)c2ccc3c(c2)CCCC3)C1.CCCN1CCCC(C(=O)c2ccc3c(c2)OCCO3)C1.COc1ccc(C(=O)C2CCCN(CC3CC3)C2)cc1.COc1ccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)cc1.COc1cccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)c1.COc1cccc(C(=O)[C@H]2CCCN(CC3CC3)C2)c1
InChIInChI=1S/C19H27NO.C17H23NO3.4C17H23NO2.C17H25NO/c1-2-11-20-12-5-8-18(14-20)19(21)17-10-9-15-6-3-4-7-16(15)13-17;1-2-7-18-8-3-4-14(12-18)17(19)13-5-6-15-16(11-13)21-10-9-20-15;2*1-20-16-6-2-4-14(10-16)17(19)15-5-3-9-18(12-15)11-13-7-8-13;2*1-20-16-8-6-14(7-9-16)17(19)15-3-2-10-18(12-15)11-13-4-5-13;1-4-9-18-10-5-6-16(12-18)17(19)15-8-7-13(2)14(3)11-15/h9-10,13,18H,2-8,11-12,14H2,1H3;5-6,11,14H,2-4,7-10,12H2,1H3;2*2,4,6,10,13,15H,3,5,7-9,11-12H2,1H3;2*6-9,13,15H,2-5,10-12H2,1H3;7-8,11,16H,4-6,9-10,12H2,1-3H3/t;;3*15-;;/m..101../s1
InChIKeySMIKOSJYCHOFEI-IIWMNLHVSA-N
MW1927.70 g/mol
LogP22.24
Rot. Bonds32

About [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (PubChem CID 160875500) has the molecular formula C121H167N7O13 and a molecular weight of 1927.70 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
PubChem CID160875500
Molecular FormulaC121H167N7O13
Molecular Weight1927.70 g/mol
Exact Mass1926.26
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
SMILESCCCN1CCCC(C(=O)c2ccc(C)c(C)c2)C1.CCCN1CCCC(C(=O)c2ccc3c(c2)CCCC3)C1.CCCN1CCCC(C(=O)c2ccc3c(c2)OCCO3)C1.COc1ccc(C(=O)C2CCCN(CC3CC3)C2)cc1.COc1ccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)cc1.COc1cccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)c1.COc1cccc(C(=O)[C@H]2CCCN(CC3CC3)C2)c1
InChIInChI=1S/C19H27NO.C17H23NO3.4C17H23NO2.C17H25NO/c1-2-11-20-12-5-8-18(14-20)19(21)17-10-9-15-6-3-4-7-16(15)13-17;1-2-7-18-8-3-4-14(12-18)17(19)13-5-6-15-16(11-13)21-10-9-20-15;2*1-20-16-6-2-4-14(10-16)17(19)15-5-3-9-18(12-15)11-13-7-8-13;2*1-20-16-8-6-14(7-9-16)17(19)15-3-2-10-18(12-15)11-13-4-5-13;1-4-9-18-10-5-6-16(12-18)17(19)15-8-7-13(2)14(3)11-15/h9-10,13,18H,2-8,11-12,14H2,1H3;5-6,11,14H,2-4,7-10,12H2,1H3;2*2,4,6,10,13,15H,3,5,7-9,11-12H2,1H3;2*6-9,13,15H,2-5,10-12H2,1H3;7-8,11,16H,4-6,9-10,12H2,1-3H3/t;;3*15-;;/m..101../s1
InChIKeySMIKOSJYCHOFEI-IIWMNLHVSA-N
XLogP22.24
TPSA197.55 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds32
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001927.70
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone with MolForge

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Related Compounds

[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
CID 121479292
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
CID 82389965
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
1,3-benzodioxol-5-yl-[1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]methanone
CID 45187766
1,3-benzodioxol-5-yl-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]methanone
CID 24792971
(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone (CID 160875500) is [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is CCCN1CCCC(C(=O)c2ccc(C)c(C)c2)C1.CCCN1CCCC(C(=O)c2ccc3c(c2)CCCC3)C1.CCCN1CCCC(C(=O)c2ccc3c(c2)OCCO3)C1.COc1ccc(C(=O)C2CCCN(CC3CC3)C2)cc1.COc1ccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)cc1.COc1cccc(C(=O)[C@@H]2CCCN(CC3CC3)C2)c1.COc1cccc(C(=O)[C@H]2CCCN(CC3CC3)C2)c1.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is SMIKOSJYCHOFEI-IIWMNLHVSA-N. The full InChI is InChI=1S/C19H27NO.C17H23NO3.4C17H23NO2.C17H25NO/c1-2-11-20-12-5-8-18(14-20)19(21)17-10-9-15-6-3-4-7-16(15)13-17;1-2-7-18-8-3-4-14(12-18)17(19)13-5-6-15-16(11-13)21-10-9-20-15;2*1-20-16-6-2-4-14(10-16)17(19)15-5-3-9-18(12-15)11-13-7-8-13;2*1-20-16-8-6-14(7-9-16)17(19)15-3-2-10-18(12-15)11-13-4-5-13;1-4-9-18-10-5-6-16(12-18)17(19)15-8-7-13(2)14(3)11-15/h9-10,13,18H,2-8,11-12,14H2,1H3;5-6,11,14H,2-4,7-10,12H2,1H3;2*2,4,6,10,13,15H,3,5,7-9,11-12H2,1H3;2*6-9,13,15H,2-5,10-12H2,1H3;7-8,11,16H,4-6,9-10,12H2,1-3H3/t;;3*15-;;/m..101../s1.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 1927.70 g/mol, XLogP of 22.24, 32 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(3-methoxyphenyl)methanone;[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-(4-methoxyphenyl)methanone;2,3-dihydro-1,4-benzodioxin-6-yl-(1-propylpiperidin-3-yl)methanone;(3,4-dimethylphenyl)-(1-propylpiperidin-3-yl)methanone;(1-propylpiperidin-3-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 160875500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).