(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide

C17H27N3O2S — CID 97051415

IUPAC(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESCC[C@@H](NC(=O)[C@H](CC(C)C)N1CCCCC1=O)c1nccs1
InChIInChI=1S/C17H27N3O2S/c1-4-13(17-18-8-10-23-17)19-16(22)14(11-12(2)3)20-9-6-5-7-15(20)21/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyAEFYOYHLUOQQAP-KGLIPLIRSA-N
MW337.49 g/mol
LogP3.14
Rot. Bonds7

About (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide

(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide (PubChem CID 97051415) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide
PubChem CID97051415
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide
SMILESCC[C@@H](NC(=O)[C@H](CC(C)C)N1CCCCC1=O)c1nccs1
InChIInChI=1S/C17H27N3O2S/c1-4-13(17-18-8-10-23-17)19-16(22)14(11-12(2)3)20-9-6-5-7-15(20)21/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,19,22)/t13-,14+/m1/s1
InChIKeyAEFYOYHLUOQQAP-KGLIPLIRSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide?
The IUPAC name of (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide (CID 97051415) is (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide.
What is the SMILES notation for (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide?
The canonical SMILES for (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide is CC[C@@H](NC(=O)[C@H](CC(C)C)N1CCCCC1=O)c1nccs1.
What is the InChIKey of (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide?
The InChIKey is AEFYOYHLUOQQAP-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-4-13(17-18-8-10-23-17)19-16(22)14(11-12(2)3)20-9-6-5-7-15(20)21/h8,10,12-14H,4-7,9,11H2,1-3H3,(H,19,22)/t13-,14+/m1/s1.
What are the key properties of (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide?
(2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide has a molecular weight of 337.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-oxopiperidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pentanamide is sourced from PubChem (CID 97051415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).