1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C17H22N4OS — CID 17152495

IUPAC1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-2-6-15-19-20-17(23-15)18-16(22)13-9-11-21(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,18,20,22)
InChIKeyCDWTTYQXMBLTKG-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.35
Rot. Bonds5

About 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 17152495) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID17152495
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCCCc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C17H22N4OS/c1-2-6-15-19-20-17(23-15)18-16(22)13-9-11-21(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,18,20,22)
InChIKeyCDWTTYQXMBLTKG-UHFFFAOYSA-N
XLogP3.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-phenylpiperidin-4-yl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 86830659
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152412
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenylpiperidine-4-carboxamide
CID 17152534
1-benzoyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 136524415
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224197
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
1-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122074085
N-(5-butyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 19181493
1-(2,5-difluorophenyl)sulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27676149
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 26197093

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 17152495) is 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is CCCc1nnc(NC(=O)C2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is CDWTTYQXMBLTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-6-15-19-20-17(23-15)18-16(22)13-9-11-21(12-10-13)14-7-4-3-5-8-14/h3-5,7-8,13H,2,6,9-12H2,1H3,(H,18,20,22).
What are the key properties of 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 17152495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).