1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

C19H18ClNO3S — CID 24790127

IUPAC1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C19H18ClNO3S/c1-12(22)16-8-9-17(25-16)19(24)21-10-2-3-14(11-21)18(23)13-4-6-15(20)7-5-13/h4-9,14H,2-3,10-11H2,1H3
InChIKeyCCMDFPCOGRQZKP-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.34
Rot. Bonds4

About 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone

1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 24790127) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID24790127
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)s1
InChIInChI=1S/C19H18ClNO3S/c1-12(22)16-8-9-17(25-16)19(24)21-10-2-3-14(11-21)18(23)13-4-6-15(20)7-5-13/h4-9,14H,2-3,10-11H2,1H3
InChIKeyCCMDFPCOGRQZKP-UHFFFAOYSA-N
XLogP4.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 856372
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
3-[Benzyl(propan-2-yl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231948
3-[Benzyl(tert-butyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231949
3-[Benzyl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231950
3-[Benzyl(methyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231951
(3-Chloro-1-benzothiophen-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 4152572
[(3S,4R)-4-(4-Chloro-phenyl)-1-methyl-pyrrolidin-3-yl]-thiophen-2-yl-methanone
CID 10447841
(2,5-Difluorophenyl){1-[(3-methyl-2-thienyl)carbonyl]-3-piperidinyl}methanone
CID 16188890
1-(5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 57392835
1-(6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 57401531
1-(4-chlorophenyl)-N-methyl-N-(thiophen-2-ylmethyl)cyclobutane-1-carboxamide
CID 71451421

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 24790127) is 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)s1.
What is the InChIKey of 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is CCMDFPCOGRQZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-12(22)16-8-9-17(25-16)19(24)21-10-2-3-14(11-21)18(23)13-4-6-15(20)7-5-13/h4-9,14H,2-3,10-11H2,1H3.
What are the key properties of 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone has a molecular weight of 375.88 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24790127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).