(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide

C20H23N3O2 — CID 131930794

IUPAC(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C20H23N3O2/c1-14-10-11-16(22-19(24)15-7-3-2-4-8-15)18(13-14)23-20(25)17-9-5-6-12-21-17/h2-4,7-8,10-11,13,17,21H,5-6,9,12H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyWMQYPNBVBVGFFY-KRWDZBQOSA-N
MW337.42 g/mol
LogP3.33
Rot. Bonds4

About (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide

(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide (PubChem CID 131930794) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
PubChem CID131930794
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@@H]2CCCCN2)c1
InChIInChI=1S/C20H23N3O2/c1-14-10-11-16(22-19(24)15-7-3-2-4-8-15)18(13-14)23-20(25)17-9-5-6-12-21-17/h2-4,7-8,10-11,13,17,21H,5-6,9,12H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1
InChIKeyWMQYPNBVBVGFFY-KRWDZBQOSA-N
XLogP3.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-bromo-5-methylphenyl)piperidine-2-carboxamide
CID 104914544
(2S)-N-(2-chloro-5-methylphenyl)piperidine-2-carboxamide
CID 103808460
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(4-methyl-2-nitrophenyl)piperidine-2-carboxamide
CID 104913031
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
(2S)-N-(2-chloro-5-methylphenyl)pyrrolidine-2-carboxamide
CID 103794561
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
(2R)-N-(2-hydroxyphenyl)piperidine-2-carboxamide
CID 104694666
(2S)-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]pyrrolidine-2-carboxamide
CID 45112179
N-(2-phenylphenyl)piperidine-2-carboxamide
CID 18072559
N-(4-methyl-2-propoxyphenyl)azepane-2-carboxamide
CID 64561866
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide (CID 131930794) is (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide is Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@@H]2CCCCN2)c1.
What is the InChIKey of (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide?
The InChIKey is WMQYPNBVBVGFFY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-10-11-16(22-19(24)15-7-3-2-4-8-15)18(13-14)23-20(25)17-9-5-6-12-21-17/h2-4,7-8,10-11,13,17,21H,5-6,9,12H2,1H3,(H,22,24)(H,23,25)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide?
(2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-benzamido-5-methylphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 131930794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).