(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C17H26N2O2S — CID 97013445

IUPAC(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H26N2O2S/c1-12(2)10-13(3)18-16(20)14-6-4-8-19(11-14)17(21)15-7-5-9-22-15/h5,7,9,12-14H,4,6,8,10-11H2,1-3H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyZIABCUFHGNSRHT-KGLIPLIRSA-N
MW322.47 g/mol
LogP3.15
Rot. Bonds5

About (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 97013445) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID97013445
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C)C[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C17H26N2O2S/c1-12(2)10-13(3)18-16(20)14-6-4-8-19(11-14)17(21)15-7-5-9-22-15/h5,7,9,12-14H,4,6,8,10-11H2,1-3H3,(H,18,20)/t13-,14+/m1/s1
InChIKeyZIABCUFHGNSRHT-KGLIPLIRSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-(1-hydroxybutan-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 110886255
N-[1-(4-bromophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42885431
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 129376970
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-[1-(4-cyanophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134035121
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
(3S)-3-N-[(2S)-1-thiophen-2-ylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 32597617

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 97013445) is (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C)C[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZIABCUFHGNSRHT-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-12(2)10-13(3)18-16(20)14-6-4-8-19(11-14)17(21)15-7-5-9-22-15/h5,7,9,12-14H,4,6,8,10-11H2,1-3H3,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 97013445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).