(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide

C16H23N3O2 — CID 41096237

IUPAC(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc1C
InChIInChI=1S/C16H23N3O2/c1-11-6-7-13(9-12(11)2)18-15(20)10-19-8-4-3-5-14(19)16(17)21/h6-7,9,14H,3-5,8,10H2,1-2H3,(H2,17,21)(H,18,20)/t14-/m0/s1
InChIKeyHYFAOIVLXGRZIE-AWEZNQCLSA-N
MW289.38 g/mol
LogP1.58
Rot. Bonds4

About (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide

(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide (PubChem CID 41096237) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
PubChem CID41096237
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
SMILESCc1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc1C
InChIInChI=1S/C16H23N3O2/c1-11-6-7-13(9-12(11)2)18-15(20)10-19-8-4-3-5-14(19)16(17)21/h6-7,9,14H,3-5,8,10H2,1-2H3,(H2,17,21)(H,18,20)/t14-/m0/s1
InChIKeyHYFAOIVLXGRZIE-AWEZNQCLSA-N
XLogP1.58
TPSA75.43 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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 63255589
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119911982
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
CID 41292691
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
(2R)-1-[2-(4-chloroanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 9405076
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 63255628
(2S)-1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 25444668
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
1-[2-(4-cyanoanilino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43183672
N-(3-bromo-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583157

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide (CID 41096237) is (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide is Cc1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc1C.
What is the InChIKey of (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide?
The InChIKey is HYFAOIVLXGRZIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-6-7-13(9-12(11)2)18-15(20)10-19-8-4-3-5-14(19)16(17)21/h6-7,9,14H,3-5,8,10H2,1-2H3,(H2,17,21)(H,18,20)/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide?
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide is sourced from PubChem (CID 41096237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).