N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide

C19H28N2O2 — CID 119312808

IUPACN-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC2CCCCC2)cc1)C1CCCNC1
InChIInChI=1S/C19H28N2O2/c22-19(16-5-4-12-20-14-16)21-13-15-8-10-18(11-9-15)23-17-6-2-1-3-7-17/h8-11,16-17,20H,1-7,12-14H2,(H,21,22)
InChIKeyPHLOYUVAGHVWFR-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.01
Rot. Bonds5

About N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide

N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 119312808) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID119312808
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC2CCCCC2)cc1)C1CCCNC1
InChIInChI=1S/C19H28N2O2/c22-19(16-5-4-12-20-14-16)21-13-15-8-10-18(11-9-15)23-17-6-2-1-3-7-17/h8-11,16-17,20H,1-7,12-14H2,(H,21,22)
InChIKeyPHLOYUVAGHVWFR-UHFFFAOYSA-N
XLogP3.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyclohexyloxyphenyl)methyl]piperidine-4-carboxamide
CID 119312792
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide (CID 119312808) is N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide is O=C(NCc1ccc(OC2CCCCC2)cc1)C1CCCNC1.
What is the InChIKey of N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is PHLOYUVAGHVWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(16-5-4-12-20-14-16)21-13-15-8-10-18(11-9-15)23-17-6-2-1-3-7-17/h8-11,16-17,20H,1-7,12-14H2,(H,21,22).
What are the key properties of N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide?
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119312808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).