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

C14H20N2O — CID 18073073

IUPACN-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)9-16-14(17)13-3-2-8-15-10-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyBFKOVPMPRRKXSN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.61
Rot. Bonds3

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

N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 18073073) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID18073073
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCNC2)cc1
InChIInChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)9-16-14(17)13-3-2-8-15-10-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17)
InChIKeyBFKOVPMPRRKXSN-UHFFFAOYSA-N
XLogP1.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3S)-N-[(6-methyl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81140194
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277382
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 18073073) is N-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is BFKOVPMPRRKXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-4-6-12(7-5-11)9-16-14(17)13-3-2-8-15-10-13/h4-7,13,15H,2-3,8-10H2,1H3,(H,16,17).
What are the key properties of N-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 18073073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).