1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C26H22ClN3O2S — CID 26174874

IUPAC1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H22ClN3O2S/c27-22-9-7-19(8-10-22)25(32)30-13-11-18(12-14-30)24(31)29-26-28-23(16-33-26)21-6-5-17-3-1-2-4-20(17)15-21/h1-10,15-16,18H,11-14H2,(H,28,29,31)
InChIKeyHTHWVNOVEXNNFU-UHFFFAOYSA-N
MW476.00 g/mol
LogP6.11
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 26174874) has the molecular formula C26H22ClN3O2S and a molecular weight of 476.00 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID26174874
Molecular FormulaC26H22ClN3O2S
Molecular Weight476.00 g/mol
Exact Mass475.11
IUPAC Name1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H22ClN3O2S/c27-22-9-7-19(8-10-22)25(32)30-13-11-18(12-14-30)24(31)29-26-28-23(16-33-26)21-6-5-17-3-1-2-4-20(17)15-21/h1-10,15-16,18H,11-14H2,(H,28,29,31)
InChIKeyHTHWVNOVEXNNFU-UHFFFAOYSA-N
XLogP6.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.00
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 32622900
1-(4-chlorophenyl)sulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 16827761
1-(furan-3-carbonyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 35509215
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(2,4-difluorobenzoyl)-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55375404
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18205216
1-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16827220

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 26174874) is 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is HTHWVNOVEXNNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2S/c27-22-9-7-19(8-10-22)25(32)30-13-11-18(12-14-30)24(31)29-26-28-23(16-33-26)21-6-5-17-3-1-2-4-20(17)15-21/h1-10,15-16,18H,11-14H2,(H,28,29,31).
What are the key properties of 1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 476.00 g/mol, XLogP of 6.11, 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-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 26174874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).