(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

C18H27N3O2 — CID 120617822

IUPAC(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCN[C@@H](C)C2)c(C)c1
InChIInChI=1S/C18H27N3O2/c1-11-7-12(2)17(13(3)8-11)21-16(22)10-20-18(23)15-5-6-19-14(4)9-15/h7-8,14-15,19H,5-6,9-10H2,1-4H3,(H,20,23)(H,21,22)/t14-,15-/m0/s1
InChIKeyZDOHNHBIVBNADZ-GJZGRUSLSA-N
MW317.43 g/mol
LogP2.05
Rot. Bonds4

About (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide (PubChem CID 120617822) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
PubChem CID120617822
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCN[C@@H](C)C2)c(C)c1
InChIInChI=1S/C18H27N3O2/c1-11-7-12(2)17(13(3)8-11)21-16(22)10-20-18(23)15-5-6-19-14(4)9-15/h7-8,14-15,19H,5-6,9-10H2,1-4H3,(H,20,23)(H,21,22)/t14-,15-/m0/s1
InChIKeyZDOHNHBIVBNADZ-GJZGRUSLSA-N
XLogP2.05
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119269157
(2S,4S)-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide
CID 120629339
(2S,4S)-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629586
(2S,4S)-N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120627706
5-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxamide
CID 112761773
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119269152
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
2-methyl-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 79382496
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methylpiperidine-4-carboxamide
CID 106740195
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide (CID 120617822) is (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CCN[C@@H](C)C2)c(C)c1.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
The InChIKey is ZDOHNHBIVBNADZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-11-7-12(2)17(13(3)8-11)21-16(22)10-20-18(23)15-5-6-19-14(4)9-15/h7-8,14-15,19H,5-6,9-10H2,1-4H3,(H,20,23)(H,21,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120617822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).