(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

C17H25N3O2 — CID 120618816

IUPAC(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12-10-15(8-9-19-12)17(22)20(3)11-13-4-6-14(7-5-13)16(21)18-2/h4-7,12,15,19H,8-11H2,1-3H3,(H,18,21)/t12-,15-/m0/s1
InChIKeyOOPOJGJVTQDRHQ-WFASDCNBSA-N
MW303.41 g/mol
LogP1.39
Rot. Bonds4

About (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide

(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 120618816) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID120618816
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12-10-15(8-9-19-12)17(22)20(3)11-13-4-6-14(7-5-13)16(21)18-2/h4-7,12,15,19H,8-11H2,1-3H3,(H,18,21)/t12-,15-/m0/s1
InChIKeyOOPOJGJVTQDRHQ-WFASDCNBSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-3-carboxamide
CID 81128292
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119694200
2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60948397
(2S,4S)-N-[(3-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120617586
(2S,4S)-N-[(4-methoxy-3-methylphenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
CID 120629959
(2S,4S)-N-[(4-chloro-3-fluorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120640700
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
(2R)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 8966947
4-[[[2-(4-fluorophenyl)cyclopropanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 51292326
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 60944866
(2S,4S)-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624705

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide (CID 120618816) is (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OOPOJGJVTQDRHQ-WFASDCNBSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-10-15(8-9-19-12)17(22)20(3)11-13-4-6-14(7-5-13)16(21)18-2/h4-7,12,15,19H,8-11H2,1-3H3,(H,18,21)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide?
(2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120618816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).