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

C19H18ClNO3S — CID 24793134

IUPAC1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)cs1
InChIInChI=1S/C19H18ClNO3S/c1-12(22)17-9-15(11-25-17)19(24)21-8-2-3-14(10-21)18(23)13-4-6-16(20)7-5-13/h4-7,9,11,14H,2-3,8,10H2,1H3
InChIKeyMAHVMFQNIVRYSO-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.34
Rot. Bonds4

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

1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (PubChem CID 24793134) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
PubChem CID24793134
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)cs1
InChIInChI=1S/C19H18ClNO3S/c1-12(22)17-9-15(11-25-17)19(24)21-8-2-3-14(10-21)18(23)13-4-6-16(20)7-5-13/h4-7,9,11,14H,2-3,8,10H2,1H3
InChIKeyMAHVMFQNIVRYSO-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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone (CID 24793134) is 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCCC(C(=O)c3ccc(Cl)cc3)C2)cs1.
What is the InChIKey of 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
The InChIKey is MAHVMFQNIVRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3S/c1-12(22)17-9-15(11-25-17)19(24)21-8-2-3-14(10-21)18(23)13-4-6-16(20)7-5-13/h4-7,9,11,14H,2-3,8,10H2,1H3.
What are the key properties of 1-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone?
1-[4-[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-[4-[3-(4-chlorobenzoyl)piperidine-1-carbonyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 24793134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).