(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide

C15H21N3O2 — CID 81128806

IUPAC(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21N3O2/c1-18(15(20)13-3-2-8-17-9-13)10-11-4-6-12(7-5-11)14(16)19/h4-7,13,17H,2-3,8-10H2,1H3,(H2,16,19)/t13-/m1/s1
InChIKeyGARMEUOVAGPGRV-CYBMUJFWSA-N
MW275.35 g/mol
LogP0.74
Rot. Bonds4

About (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide

(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81128806) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID81128806
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H21N3O2/c1-18(15(20)13-3-2-8-17-9-13)10-11-4-6-12(7-5-11)14(16)19/h4-7,13,17H,2-3,8-10H2,1H3,(H2,16,19)/t13-/m1/s1
InChIKeyGARMEUOVAGPGRV-CYBMUJFWSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 81125976
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-[(4-chlorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005156
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 119301226
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119285874
4-[[methyl(pyrrolidin-3-yl)amino]methyl]benzamide
CID 63301451
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119279483

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 81128806) is (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is GARMEUOVAGPGRV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(15(20)13-3-2-8-17-9-13)10-11-4-6-12(7-5-11)14(16)19/h4-7,13,17H,2-3,8-10H2,1H3,(H2,16,19)/t13-/m1/s1.
What are the key properties of (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide?
(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81128806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).