5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C23H29N5O3S — CID 46330746

IUPAC5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)s1
InChIInChI=1S/C23H29N5O3S/c29-19(24-17-10-4-1-2-5-11-17)16-9-8-14-28(15-16)23(31)22-27-26-21(32-22)20(30)25-18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,1-2,4-5,8-11,14-15H2,(H,24,29)(H,25,30)
InChIKeyVFAQPOXSTKFPJO-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.48
Rot. Bonds5

About 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46330746) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46330746
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nnc(C(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)s1
InChIInChI=1S/C23H29N5O3S/c29-19(24-17-10-4-1-2-5-11-17)16-9-8-14-28(15-16)23(31)22-27-26-21(32-22)20(30)25-18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,1-2,4-5,8-11,14-15H2,(H,24,29)(H,25,30)
InChIKeyVFAQPOXSTKFPJO-UHFFFAOYSA-N
XLogP3.48
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890650
N-(4-chlorophenyl)-5-[3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 50788250
5-[(3S)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890744
1-[5-(phenylcarbamoyl)-1,3,4-thiadiazole-2-carbonyl]piperidine-3-carboxylic acid
CID 172909056
5-[(3R)-3-(cyclopropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890519
N-phenyl-5-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890642
N-(1,3-benzodioxol-5-yl)-5-[(3R)-3-(cyclopentylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890863
5-[4-[2-(cyclohexylamino)-2-oxoethyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46330926
5-[(3S)-3-[(2-methylphenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890732
5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890720
5-[(3S)-3-[(4-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890696
5-[4-(cyclohexylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330582

Frequently Asked Questions

What is the IUPAC name of 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 46330746) is 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccccc1)c1nnc(C(=O)N2CCCC(C(=O)NC3CCCCCC3)C2)s1.
What is the InChIKey of 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VFAQPOXSTKFPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3S/c29-19(24-17-10-4-1-2-5-11-17)16-9-8-14-28(15-16)23(31)22-27-26-21(32-22)20(30)25-18-12-6-3-7-13-18/h3,6-7,12-13,16-17H,1-2,4-5,8-11,14-15H2,(H,24,29)(H,25,30).
What are the key properties of 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cycloheptylcarbamoyl)piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46330746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).