[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone

C21H25NO — CID 121479292

IUPAC[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
SMILESCc1cccc2ccc(C(=O)C3CCCN(CC4CC4)C3)cc12
InChIInChI=1S/C21H25NO/c1-15-4-2-5-17-9-10-18(12-20(15)17)21(23)19-6-3-11-22(14-19)13-16-7-8-16/h2,4-5,9-10,12,16,19H,3,6-8,11,13-14H2,1H3
InChIKeySZNSABWJKZCHIY-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.45
Rot. Bonds4

About [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone

[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone (PubChem CID 121479292) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
PubChem CID121479292
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone
SMILESCc1cccc2ccc(C(=O)C3CCCN(CC4CC4)C3)cc12
InChIInChI=1S/C21H25NO/c1-15-4-2-5-17-9-10-18(12-20(15)17)21(23)19-6-3-11-22(14-19)13-16-7-8-16/h2,4-5,9-10,12,16,19H,3,6-8,11,13-14H2,1H3
InChIKeySZNSABWJKZCHIY-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-bromonaphthalen-2-yl)-[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 121479163
[1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxy-5-methylnaphthalen-2-yl)methanone
CID 121479074
2-[6-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-2-methoxynaphthalen-1-yl]acetonitrile
CID 121479119
[(3R)-1-(cyclopropylmethyl)piperidin-3-yl]-[4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]methanone
CID 134203310
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
[2-chloro-3-[1-(cyclopropylmethyl)-5-(5-phenoxynaphthalene-2-carbonyl)piperidin-3-yl]phenyl]-[1-(cyclopropylmethyl)piperidin-3-yl]methanone
CID 134204237
(1-propylpiperidin-3-yl)-quinolin-6-ylmethanone
CID 121479164
5-[1-(cyclopropylmethyl)piperidine-3-carbonyl]-1-methyl-3-[[2-[[3-(3-methyl-1,2-benzoxazole-6-carbonyl)piperidin-1-yl]methyl]cyclopropyl]methyl]benzimidazol-2-one
CID 145118713
[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
(3,4-dimethoxyphenyl)-[(3S)-1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 25379647
(E)-1-[1-(cyclopropylmethyl)piperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177313915
acetylene;[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;[(3S)-1-(cyclopropylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone;1-(cyclopropylmethyl)-4-(trifluoromethyl)piperidine;ethane;2-methoxy-6-methylnaphthalene
CID 145118786

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone (CID 121479292) is [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone is Cc1cccc2ccc(C(=O)C3CCCN(CC4CC4)C3)cc12.
What is the InChIKey of [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone?
The InChIKey is SZNSABWJKZCHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-4-2-5-17-9-10-18(12-20(15)17)21(23)19-6-3-11-22(14-19)13-16-7-8-16/h2,4-5,9-10,12,16,19H,3,6-8,11,13-14H2,1H3.
What are the key properties of [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone?
[1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone has a molecular weight of 307.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)piperidin-3-yl]-(8-methylnaphthalen-2-yl)methanone is sourced from PubChem (CID 121479292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).