N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide

C14H19N3O2 — CID 61274140

IUPACN-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C14H19N3O2/c15-13(18)11-4-1-3-10(7-11)8-17-14(19)12-5-2-6-16-9-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H2,15,18)(H,17,19)
InChIKeyQCLOJLPITWHLBO-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.40
Rot. Bonds4

About N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide

N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 61274140) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
PubChem CID61274140
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)C2CCCNC2)c1
InChIInChI=1S/C14H19N3O2/c15-13(18)11-4-1-3-10(7-11)8-17-14(19)12-5-2-6-16-9-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H2,15,18)(H,17,19)
InChIKeyQCLOJLPITWHLBO-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(ethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119295626
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[2-(3-carbamoylphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770333
N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 119305142
3-[(piperidin-3-ylmethylamino)methyl]benzamide
CID 80553685
N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119847231
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 91518240
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide (CID 61274140) is N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide is NC(=O)c1cccc(CNC(=O)C2CCCNC2)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QCLOJLPITWHLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(18)11-4-1-3-10(7-11)8-17-14(19)12-5-2-6-16-9-12/h1,3-4,7,12,16H,2,5-6,8-9H2,(H2,15,18)(H,17,19).
What are the key properties of N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 61274140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).