1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide

C21H32N2O2 — CID 119556531

IUPAC1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C2(C(=O)NCCC3CCCNC3)CCCC2)ccc1C
InChIInChI=1S/C21H32N2O2/c1-16-7-8-18(14-19(16)25-2)21(10-3-4-11-21)20(24)23-13-9-17-6-5-12-22-15-17/h7-8,14,17,22H,3-6,9-13,15H2,1-2H3,(H,23,24)
InChIKeyITTWAJFNKCDBFL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.32
Rot. Bonds6

About 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide

1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide (PubChem CID 119556531) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
PubChem CID119556531
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C2(C(=O)NCCC3CCCNC3)CCCC2)ccc1C
InChIInChI=1S/C21H32N2O2/c1-16-7-8-18(14-19(16)25-2)21(10-3-4-11-21)20(24)23-13-9-17-6-5-12-22-15-17/h7-8,14,17,22H,3-6,9-13,15H2,1-2H3,(H,23,24)
InChIKeyITTWAJFNKCDBFL-UHFFFAOYSA-N
XLogP3.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119558765
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119556453
1-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119558146
1-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)cyclobutane-1-carboxamide
CID 119555237
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-methoxy-4-methylphenyl)cyclobutane-1-carboxamide
CID 120946527
1-(3-methoxy-4-methylphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 120890717
N-(3-aminobutyl)-1-(3-methoxy-4-methylphenyl)cyclopentane-1-carboxamide
CID 119496437
1-(4-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119534101
1-(3-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119534325
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide (CID 119556531) is 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide is COc1cc(C2(C(=O)NCCC3CCCNC3)CCCC2)ccc1C.
What is the InChIKey of 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is ITTWAJFNKCDBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-7-8-18(14-19(16)25-2)21(10-3-4-11-21)20(24)23-13-9-17-6-5-12-22-15-17/h7-8,14,17,22H,3-6,9-13,15H2,1-2H3,(H,23,24).
What are the key properties of 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide?
1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methylphenyl)-N-(2-piperidin-3-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119556531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).