1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C21H26N4O2S — CID 60523241

IUPAC1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H26N4O2S/c26-19(23-21-24-22-14-28-21)17-10-12-25(13-11-17)20(27)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-13H2,(H,23,24,26)
InChIKeyQQDZLOQTRBLENK-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.08
Rot. Bonds4

About 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 60523241) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID60523241
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nncs1)C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H26N4O2S/c26-19(23-21-24-22-14-28-21)17-10-12-25(13-11-17)20(27)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-13H2,(H,23,24,26)
InChIKeyQQDZLOQTRBLENK-UHFFFAOYSA-N
XLogP4.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440
1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17119295
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
1-(5-ethylfuran-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 60523042
1-N-[cyclopentyl(thiophen-2-yl)methyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 55930277
1-[5-(4-bromophenyl)thiophene-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957477
1-(2-iodo-5-nitrobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957732
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
1-[4-(1,3-dithian-2-yl)benzoyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 51123076

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 60523241) is 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nncs1)C1CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is QQDZLOQTRBLENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-19(23-21-24-22-14-28-21)17-10-12-25(13-11-17)20(27)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h6-9,14-15,17H,1-5,10-13H2,(H,23,24,26).
What are the key properties of 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 60523241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).