1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C21H25ClN4O2S — CID 17119295

IUPAC1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O2S/c22-17-8-6-16(7-9-17)20(28)26-12-10-14(11-13-26)18(27)23-21-25-24-19(29-21)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2,(H,23,25,27)
InChIKeyAPEPTWDJLCLOBB-UHFFFAOYSA-N
MW432.98 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 17119295) has the molecular formula C21H25ClN4O2S and a molecular weight of 432.98 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID17119295
Molecular FormulaC21H25ClN4O2S
Molecular Weight432.98 g/mol
Exact Mass432.14
IUPAC Name1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H25ClN4O2S/c22-17-8-6-16(7-9-17)20(28)26-12-10-14(11-13-26)18(27)23-21-25-24-19(29-21)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2,(H,23,25,27)
InChIKeyAPEPTWDJLCLOBB-UHFFFAOYSA-N
XLogP4.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.98
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18275497
1-(4-chlorobenzoyl)-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 17119367
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152774
1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523241
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
1-(4-chlorobenzoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51241893
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 167759023
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 99635970

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 17119295) is 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is APEPTWDJLCLOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2S/c22-17-8-6-16(7-9-17)20(28)26-12-10-14(11-13-26)18(27)23-21-25-24-19(29-21)15-4-2-1-3-5-15/h6-9,14-15H,1-5,10-13H2,(H,23,25,27).
What are the key properties of 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 432.98 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17119295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).