1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

C14H19ClN2O2S — CID 91953871

IUPAC1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C14H19ClN2O2S/c1-9(2)16-13(18)10-4-3-7-17(8-10)14(19)11-5-6-12(15)20-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyOMGVUKXUQCLFKH-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide

1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 91953871) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID91953871
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1CCCN(C(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C14H19ClN2O2S/c1-9(2)16-13(18)10-4-3-7-17(8-10)14(19)11-5-6-12(15)20-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyOMGVUKXUQCLFKH-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(5-chlorothiophene-2-carbonyl)piperidine-3-carboxamide
CID 63251929
[3-(1-aminoethyl)piperidin-1-yl]-(5-chlorothiophen-2-yl)methanone;hydrochloride
CID 119596426
[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69455246
(5-chlorothiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 128961505
(5-chlorothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542062
1-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91950477
(5-chlorothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563647
1-(4,5-dimethylthiophene-3-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 91953868
[(3R)-3-aminopyrrolidin-1-yl]-(5-chlorothiophen-2-yl)methanone
CID 81468886
1-(5-chlorothiophen-2-yl)sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 113002500
(5-chlorothiophen-2-yl)-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103878
1-(4-chlorobenzoyl)-N-(1-hydroxypropan-2-yl)piperidine-3-carboxamide
CID 78856900

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide (CID 91953871) is 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1CCCN(C(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is OMGVUKXUQCLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-9(2)16-13(18)10-4-3-7-17(8-10)14(19)11-5-6-12(15)20-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide?
1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 314.84 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophene-2-carbonyl)-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 91953871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).