(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide

C12H16N2O2S — CID 94154276

IUPAC(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1cccs1
InChIInChI=1S/C12H16N2O2S/c1-8(10-3-2-6-17-10)14-12(16)9-4-5-11(15)13-7-9/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1
InChIKeyBNZAMVOPCYZAPK-DTWKUNHWSA-N
MW252.34 g/mol
LogP1.45
Rot. Bonds3

About (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide

(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide (PubChem CID 94154276) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
PubChem CID94154276
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1cccs1
InChIInChI=1S/C12H16N2O2S/c1-8(10-3-2-6-17-10)14-12(16)9-4-5-11(15)13-7-9/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1
InChIKeyBNZAMVOPCYZAPK-DTWKUNHWSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901236
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
N-methyl-6-oxo-N-(1-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 112728802
N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 112728851
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]piperidin-2-one
CID 63661199

Frequently Asked Questions

What is the IUPAC name of (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide (CID 94154276) is (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide is C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)c1cccs1.
What is the InChIKey of (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is BNZAMVOPCYZAPK-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(10-3-2-6-17-10)14-12(16)9-4-5-11(15)13-7-9/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,15)(H,14,16)/t8-,9+/m0/s1.
What are the key properties of (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 94154276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).