(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C18H26N2O2 — CID 110868482

IUPAC(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-22-17-7-5-6-15(14-17)18(21)20-12-8-16(9-13-20)19-10-3-2-4-11-19/h5-7,14,16H,2-4,8-13H2,1H3
InChIKeyKUMGJNAPHBKZMX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.79
Rot. Bonds3

About (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 110868482) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID110868482
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-22-17-7-5-6-15(14-17)18(21)20-12-8-16(9-13-20)19-10-3-2-4-11-19/h5-7,14,16H,2-4,8-13H2,1H3
InChIKeyKUMGJNAPHBKZMX-UHFFFAOYSA-N
XLogP2.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
3-(4-piperidin-1-ylpiperidine-1-carbonyl)benzonitrile
CID 51090890
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
1-[1-(3-methoxybenzoyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 134794616
(2S,4S)-1-(3-methoxybenzoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 97415451
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
[4-[3-[1-(3-methoxybenzoyl)piperidin-4-yl]propyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 23790808

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 110868482) is (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is COc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is KUMGJNAPHBKZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17-7-5-6-15(14-17)18(21)20-12-8-16(9-13-20)19-10-3-2-4-11-19/h5-7,14,16H,2-4,8-13H2,1H3.
What are the key properties of (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 110868482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).