(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide

C21H30N2O3 — CID 129487146

IUPAC(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCC2(c3cccc(C)c3)CCCC2)C1
InChIInChI=1S/C21H30N2O3/c1-16-7-5-8-18(13-16)20(9-3-4-10-20)14-22-19(25)21(26)11-6-12-23(15-21)17(2)24/h5,7-8,13,26H,3-4,6,9-12,14-15H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyXSMONOAHAFWHPN-OAQYLSRUSA-N
MW358.48 g/mol
LogP2.30
Rot. Bonds4

About (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide

(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide (PubChem CID 129487146) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
PubChem CID129487146
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@](O)(C(=O)NCC2(c3cccc(C)c3)CCCC2)C1
InChIInChI=1S/C21H30N2O3/c1-16-7-5-8-18(13-16)20(9-3-4-10-20)14-22-19(25)21(26)11-6-12-23(15-21)17(2)24/h5,7-8,13,26H,3-4,6,9-12,14-15H2,1-2H3,(H,22,25)/t21-/m1/s1
InChIKeyXSMONOAHAFWHPN-OAQYLSRUSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485209
(3R)-1-acetyl-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129485208
(3R)-1-acetyl-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydroxypiperidine-3-carboxamide
CID 129491669
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718
1-acetyl-N-[2-(2,6-dichlorophenyl)ethyl]-3-hydroxypiperidine-3-carboxamide
CID 128987228
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
(2R)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-methylsulfonylpropanamide
CID 95322111
(2R)-2-(carbamoylamino)-N-[[1-(3-methylphenyl)cyclopentyl]methyl]propanamide
CID 95326754
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
1-[(3S)-3-hydroxy-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 129486667
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide (CID 129487146) is (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@](O)(C(=O)NCC2(c3cccc(C)c3)CCCC2)C1.
What is the InChIKey of (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide?
The InChIKey is XSMONOAHAFWHPN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-7-5-8-18(13-16)20(9-3-4-10-20)14-22-19(25)21(26)11-6-12-23(15-21)17(2)24/h5,7-8,13,26H,3-4,6,9-12,14-15H2,1-2H3,(H,22,25)/t21-/m1/s1.
What are the key properties of (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide?
(3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-3-hydroxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 129487146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).