N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide

C21H32N2O2 — CID 20930658

IUPACN-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-16-6-8-17(9-7-16)14-18-10-12-23(13-11-18)21(24)22-19-4-3-5-20(15-19)25-2/h3-5,15-18H,6-14H2,1-2H3,(H,22,24)
InChIKeyLBXRCWRQSLBMFO-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.16
Rot. Bonds4

About N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide

N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide (PubChem CID 20930658) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
PubChem CID20930658
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)c1
InChIInChI=1S/C21H32N2O2/c1-16-6-8-17(9-7-16)14-18-10-12-23(13-11-18)21(24)22-19-4-3-5-20(15-19)25-2/h3-5,15-18H,6-14H2,1-2H3,(H,22,24)
InChIKeyLBXRCWRQSLBMFO-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
4-[(4-methylcyclohexyl)methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 20930657
N-(3-methoxyphenyl)-4-[methyl(propan-2-yl)amino]piperidine-1-carboxamide
CID 3615404
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
N-[3-(2-amino-2-sulfanylideneethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79158405
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
4-cyclopentyl-4-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 23071820

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide (CID 20930658) is N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(CC3CCC(C)CC3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide?
The InChIKey is LBXRCWRQSLBMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-6-8-17(9-7-16)14-18-10-12-23(13-11-18)21(24)22-19-4-3-5-20(15-19)25-2/h3-5,15-18H,6-14H2,1-2H3,(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide?
N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[(4-methylcyclohexyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 20930658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).