(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide

C16H25N3O2S — CID 97119377

IUPAC(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCCc2nc(C)c(C)s2)CCC1=O
InChIInChI=1S/C16H25N3O2S/c1-4-19-10-13(7-8-15(19)20)16(21)17-9-5-6-14-18-11(2)12(3)22-14/h13H,4-10H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyPYTYQRGMPJNKAD-ZDUSSCGKSA-N
MW323.46 g/mol
LogP2.07
Rot. Bonds6

About (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide

(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide (PubChem CID 97119377) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
PubChem CID97119377
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCCc2nc(C)c(C)s2)CCC1=O
InChIInChI=1S/C16H25N3O2S/c1-4-19-10-13(7-8-15(19)20)16(21)17-9-5-6-14-18-11(2)12(3)22-14/h13H,4-10H2,1-3H3,(H,17,21)/t13-/m0/s1
InChIKeyPYTYQRGMPJNKAD-ZDUSSCGKSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45224796
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)-6-oxopiperidine-3-carboxamide
CID 56708569
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-propan-2-ylpiperidine-3-carboxamide
CID 72873347
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97267996
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-(2-methoxyacetyl)piperidine-4-carboxamide
CID 72898570
(3R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 97192188
(3R)-1-ethyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97119210
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 56704546
methyl 2-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propylcarbamoyl]piperidine-1-carboxylate
CID 91784960
(3S)-1-cyclopentyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 97141950
(3R)-1-ethyl-5-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 95309842
(2R)-1-acetyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 124569912

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide (CID 97119377) is (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide is CCN1C[C@@H](C(=O)NCCCc2nc(C)c(C)s2)CCC1=O.
What is the InChIKey of (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
The InChIKey is PYTYQRGMPJNKAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-19-10-13(7-8-15(19)20)16(21)17-9-5-6-14-18-11(2)12(3)22-14/h13H,4-10H2,1-3H3,(H,17,21)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide?
(3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide has a molecular weight of 323.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-1-ethyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97119377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).