4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide

C20H30N2O3 — CID 74232996

IUPAC4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3(O)CCN(C)CC3)CCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-22-13-11-20(24,12-14-22)18(23)21-15-19(9-3-4-10-19)16-5-7-17(25-2)8-6-16/h5-8,24H,3-4,9-15H2,1-2H3,(H,21,23)
InChIKeyRBQVSCGTLYBVNU-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.08
Rot. Bonds5

About 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide

4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide (PubChem CID 74232996) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
PubChem CID74232996
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide
SMILESCOc1ccc(C2(CNC(=O)C3(O)CCN(C)CC3)CCCC2)cc1
InChIInChI=1S/C20H30N2O3/c1-22-13-11-20(24,12-14-22)18(23)21-15-19(9-3-4-10-19)16-5-7-17(25-2)8-6-16/h5-8,24H,3-4,9-15H2,1-2H3,(H,21,23)
InChIKeyRBQVSCGTLYBVNU-UHFFFAOYSA-N
XLogP2.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 1149690
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]propanamide
CID 91840176
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 113214657
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120927856
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide (CID 74232996) is 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide is COc1ccc(C2(CNC(=O)C3(O)CCN(C)CC3)CCCC2)cc1.
What is the InChIKey of 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RBQVSCGTLYBVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-22-13-11-20(24,12-14-22)18(23)21-15-19(9-3-4-10-19)16-5-7-17(25-2)8-6-16/h5-8,24H,3-4,9-15H2,1-2H3,(H,21,23).
What are the key properties of 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide?
4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 74232996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).