1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C22H19ClFN3O2S — CID 32622900

IUPAC1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H19ClFN3O2S/c23-17-6-4-15(5-7-17)21(29)27-10-8-14(9-11-27)20(28)26-22-25-19(13-30-22)16-2-1-3-18(24)12-16/h1-7,12-14H,8-11H2,(H,25,26,28)
InChIKeyHQCPRVXMEUQSJK-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.09
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 32622900) has the molecular formula C22H19ClFN3O2S and a molecular weight of 443.93 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID32622900
Molecular FormulaC22H19ClFN3O2S
Molecular Weight443.93 g/mol
Exact Mass443.09
IUPAC Name1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H19ClFN3O2S/c23-17-6-4-15(5-7-17)21(29)27-10-8-14(9-11-27)20(28)26-22-25-19(13-30-22)16-2-1-3-18(24)12-16/h1-7,12-14H,8-11H2,(H,25,26,28)
InChIKeyHQCPRVXMEUQSJK-UHFFFAOYSA-N
XLogP5.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26174874
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46629072
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404
1-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16827220
1-(furan-3-carbonyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 35509215
1-(4-chlorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16804460
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
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1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 46629066
(3S)-1-(4-chlorobenzoyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 27282898
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
4-(3-fluorobenzoyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 25095820

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 32622900) is 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is HQCPRVXMEUQSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O2S/c23-17-6-4-15(5-7-17)21(29)27-10-8-14(9-11-27)20(28)26-22-25-19(13-30-22)16-2-1-3-18(24)12-16/h1-7,12-14H,8-11H2,(H,25,26,28).
What are the key properties of 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 32622900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).