3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid

C19H24N6O3S — CID 68779057

IUPAC3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1
InChIInChI=1S/C19H24N6O3S/c26-17(20-15-7-4-8-25(13-15)19(27)28)23-9-11-24(12-10-23)18-21-16(22-29-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,27,28)
InChIKeyJHGVKAFKRWXWFF-UHFFFAOYSA-N
MW416.51 g/mol
LogP2.18
Rot. Bonds3

About 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid

3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 68779057) has the molecular formula C19H24N6O3S and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid
PubChem CID68779057
Molecular FormulaC19H24N6O3S
Molecular Weight416.51 g/mol
Exact Mass416.16
IUPAC Name3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCCC(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1
InChIInChI=1S/C19H24N6O3S/c26-17(20-15-7-4-8-25(13-15)19(27)28)23-9-11-24(12-10-23)18-21-16(22-29-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,27,28)
InChIKeyJHGVKAFKRWXWFF-UHFFFAOYSA-N
XLogP2.18
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]benzoic acid
CID 69297209
2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 6733956
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-pyridin-3-ylpiperazine-1-carboxamide
CID 11552354
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-quinolin-2-ylpiperazine-1-carboxamide
CID 68777281
4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 15979119
N-(1,2-benzoxazol-3-yl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide
CID 71508673
N-[3-(hydroxymethyl)phenyl]-4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxamide
CID 68778002
2-methoxy-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317995
2-methyl-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-one
CID 142080060
(3,4-dimethoxyphenyl)-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]methanone
CID 133329934
N-cyclohexyl-4-(3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxamide
CID 1462046
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid (CID 68779057) is 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCCC(NC(=O)N2CCN(c3nc(-c4ccccc4)ns3)CC2)C1.
What is the InChIKey of 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid?
The InChIKey is JHGVKAFKRWXWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3S/c26-17(20-15-7-4-8-25(13-15)19(27)28)23-9-11-24(12-10-23)18-21-16(22-29-18)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,27,28).
What are the key properties of 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid?
3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 416.51 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 68779057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).