(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide

C20H31N3O2 — CID 97003639

IUPAC(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@H]2CC(C)C)cc1C
InChIInChI=1S/C20H31N3O2/c1-13(2)10-18-8-6-7-9-23(18)20(25)22-17-11-14(3)19(15(4)12-17)21-16(5)24/h11-13,18H,6-10H2,1-5H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeySAGSTMKDSKRIKV-SFHVURJKSA-N
MW345.49 g/mol
LogP4.69
Rot. Bonds4

About (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide

(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 97003639) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID97003639
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@H]2CC(C)C)cc1C
InChIInChI=1S/C20H31N3O2/c1-13(2)10-18-8-6-7-9-23(18)20(25)22-17-11-14(3)19(15(4)12-17)21-16(5)24/h11-13,18H,6-10H2,1-5H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeySAGSTMKDSKRIKV-SFHVURJKSA-N
XLogP4.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(4-methoxy-3,5-dimethylphenyl)piperidine-1-carboxamide;hydrochloride
CID 154900859
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
(2R)-2-(2-methylpropyl)-N-(1-methylpyrazol-3-yl)azepane-1-carboxamide
CID 95635629
(2S)-N-(3-acetamidophenyl)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 125155789
N-(3,5-difluoro-4-methylsulfanylphenyl)-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 75520829
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
2-(2-methylpropyl)-N-(1,2-oxazol-3-ylmethyl)piperidine-1-carboxamide
CID 75379218
N-(2-chloro-4,6-dimethylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990890
(2S)-2-(2-methylpropyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]piperidine-1-carboxamide
CID 97080755
(2R)-2-(hydroxymethyl)-N-[4-methyl-3-(3-methylbutoxy)phenyl]pyrrolidine-1-carboxamide
CID 111443382
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
(2S)-N-(3,5-dichloro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111116955

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide (CID 97003639) is (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide is CC(=O)Nc1c(C)cc(NC(=O)N2CCCC[C@H]2CC(C)C)cc1C.
What is the InChIKey of (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is SAGSTMKDSKRIKV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-13(2)10-18-8-6-7-9-23(18)20(25)22-17-11-14(3)19(15(4)12-17)21-16(5)24/h11-13,18H,6-10H2,1-5H3,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide?
(2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-acetamido-3,5-dimethylphenyl)-2-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 97003639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).