(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide

C17H25N3O2 — CID 9305645

IUPAC(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-12(2)14-7-3-4-8-15(14)19-16(21)11-20-9-5-6-13(10-20)17(18)22/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m0/s1
InChIKeyZBJFWHNPGFAMOS-ZDUSSCGKSA-N
MW303.41 g/mol
LogP1.95
Rot. Bonds5

About (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide

(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide (PubChem CID 9305645) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
PubChem CID9305645
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C17H25N3O2/c1-12(2)14-7-3-4-8-15(14)19-16(21)11-20-9-5-6-13(10-20)17(18)22/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m0/s1
InChIKeyZBJFWHNPGFAMOS-ZDUSSCGKSA-N
XLogP1.95
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxylate
CID 8532875
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(3S)-1-[2-(2-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305506
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
2-(4-methoxyazepan-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 136522491
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
1-[2-[2,5-di(propan-2-yl)anilino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 154845582
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 9134290
2-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 18078477
2-[(2R)-2-methylpiperidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655206

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide (CID 9305645) is (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide is CC(C)c1ccccc1NC(=O)CN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide?
The InChIKey is ZBJFWHNPGFAMOS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)14-7-3-4-8-15(14)19-16(21)11-20-9-5-6-13(10-20)17(18)22/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide?
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 9305645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).