(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide

C17H25N3O2 — CID 41292691

IUPAC(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-20-7-5-4-6-14(20)17(18)22/h8-9,14H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/t14-/m1/s1
InChIKeyFTAKYDXZTWTRHI-CQSZACIVSA-N
MW303.41 g/mol
LogP1.89
Rot. Bonds4

About (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide

(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide (PubChem CID 41292691) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
PubChem CID41292691
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-20-7-5-4-6-14(20)17(18)22/h8-9,14H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/t14-/m1/s1
InChIKeyFTAKYDXZTWTRHI-CQSZACIVSA-N
XLogP1.89
TPSA75.43 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909298
(2S)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 41096237
(2R)-1-[2-(3-methylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40987938
(2S)-1-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 40792929
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119928312
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperidine-2-carboxamide
CID 40918330
1-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]piperidine-2-carboxamide
CID 60681090
(2S)-1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]piperidine-2-carboxamide
CID 40987983
1-[2-(4-methylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680985
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 102977555
1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904700

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide (CID 41292691) is (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide is Cc1cc(C)c(NC(=O)CN2CCCC[C@@H]2C(N)=O)c(C)c1.
What is the InChIKey of (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide?
The InChIKey is FTAKYDXZTWTRHI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-8-12(2)16(13(3)9-11)19-15(21)10-20-7-5-4-6-14(20)17(18)22/h8-9,14H,4-7,10H2,1-3H3,(H2,18,22)(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide?
(2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 41292691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).