1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C24H24ClN3O2S — CID 17119299

IUPAC1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCc1sc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H24ClN3O2S/c1-2-20-21(16-6-4-3-5-7-16)26-24(31-20)27-22(29)17-12-14-28(15-13-17)23(30)18-8-10-19(25)11-9-18/h3-11,17H,2,12-15H2,1H3,(H,26,27,29)
InChIKeyYZXOBGODEYWHJJ-UHFFFAOYSA-N
MW454.00 g/mol
LogP5.52
Rot. Bonds5

About 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 17119299) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID17119299
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC Name1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCc1sc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1-c1ccccc1
InChIInChI=1S/C24H24ClN3O2S/c1-2-20-21(16-6-4-3-5-7-16)26-24(31-20)27-22(29)17-12-14-28(15-13-17)23(30)18-8-10-19(25)11-9-18/h3-11,17H,2,12-15H2,1H3,(H,26,27,29)
InChIKeyYZXOBGODEYWHJJ-UHFFFAOYSA-N
XLogP5.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-(4-chlorobenzoyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17119367
N-[4-(4-chlorophenyl)-5-ethyl-1,3-thiazol-2-yl]cyclohex-3-ene-1-carboxamide
CID 142709519
N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 167971343
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
cis-(1S,2R)-2-[(5-ethyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 7121338
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26291728
N-(2-butan-2-ylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119279
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 167759023
1-(4-chlorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 17119260
1-(4-chlorobenzoyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26174874

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 17119299) is 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CCc1sc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc1-c1ccccc1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is YZXOBGODEYWHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c1-2-20-21(16-6-4-3-5-7-16)26-24(31-20)27-22(29)17-12-14-28(15-13-17)23(30)18-8-10-19(25)11-9-18/h3-11,17H,2,12-15H2,1H3,(H,26,27,29).
What are the key properties of 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 454.00 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(5-ethyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17119299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).