N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide

C14H20N2O2S — CID 112728851

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)C2CCC(=O)NC2)c(C)s1
InChIInChI=1S/C14H20N2O2S/c1-8-6-12(10(3)19-8)9(2)16-14(18)11-4-5-13(17)15-7-11/h6,9,11H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBQTYMFRVLQHKFG-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 112728851) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID112728851
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cc(C(C)NC(=O)C2CCC(=O)NC2)c(C)s1
InChIInChI=1S/C14H20N2O2S/c1-8-6-12(10(3)19-8)9(2)16-14(18)11-4-5-13(17)15-7-11/h6,9,11H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBQTYMFRVLQHKFG-UHFFFAOYSA-N
XLogP2.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
N-[1-(2-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 74271464
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
6-oxo-N-(1-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 71652098
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719881
2-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974946
9-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985595
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826905
3-methyl-5-[(6-oxopiperidine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 83192490
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
trans-(1S,2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93366725
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 43696659

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide (CID 112728851) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide is Cc1cc(C(C)NC(=O)C2CCC(=O)NC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is BQTYMFRVLQHKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-8-6-12(10(3)19-8)9(2)16-14(18)11-4-5-13(17)15-7-11/h6,9,11H,4-5,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 112728851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).