(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide

C16H23N3O2 — CID 81128292

IUPAC(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-17-15(20)13-7-5-12(6-8-13)11-19(2)16(21)14-4-3-9-18-10-14/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyKRIFTRRQKJEPJE-CQSZACIVSA-N
MW289.38 g/mol
LogP1.00
Rot. Bonds4

About (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide

(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 81128292) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID81128292
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCNC2)cc1
InChIInChI=1S/C16H23N3O2/c1-17-15(20)13-7-5-12(6-8-13)11-19(2)16(21)14-4-3-9-18-10-14/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyKRIFTRRQKJEPJE-CQSZACIVSA-N
XLogP1.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(4-carbamoylphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128806
N-[(4-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43579181
(3R)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81133672
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 120618816
(3R)-N-[(4-ethoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81124371
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
(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
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide (CID 81128292) is (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)[C@@H]2CCCNC2)cc1.
What is the InChIKey of (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is KRIFTRRQKJEPJE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-17-15(20)13-7-5-12(6-8-13)11-19(2)16(21)14-4-3-9-18-10-14/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81128292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).