4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide

C13H23N7O3S — CID 95203259

IUPAC4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1
InChIInChI=1S/C13H23N7O3S/c14-24(22,23)20-6-4-18(5-7-20)13(21)12-10-19(17-16-12)9-11-2-1-3-15-8-11/h10-11,15H,1-9H2,(H2,14,22,23)/t11-/m1/s1
InChIKeyBJVCIPJHAJOVNO-LLVKDONJSA-N
MW357.44 g/mol
LogP-1.76
Rot. Bonds4

About 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide

4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide (PubChem CID 95203259) has the molecular formula C13H23N7O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
PubChem CID95203259
Molecular FormulaC13H23N7O3S
Molecular Weight357.44 g/mol
Exact Mass357.16
IUPAC Name4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide
SMILESNS(=O)(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1
InChIInChI=1S/C13H23N7O3S/c14-24(22,23)20-6-4-18(5-7-20)13(21)12-10-19(17-16-12)9-11-2-1-3-15-8-11/h10-11,15H,1-9H2,(H2,14,22,23)/t11-/m1/s1
InChIKeyBJVCIPJHAJOVNO-LLVKDONJSA-N
XLogP-1.76
TPSA126.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 99938250
ethyl (1S,5R)-3-[1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 98276944
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3R)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188449
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-[1-[[(3S)-piperidin-3-yl]methyl]triazol-4-yl]methanone
CID 95188450
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
(3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
CID 56722676
(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42240876
[1-(cyclohexylmethyl)triazol-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 24791999
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95149109
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95120626
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218053
N-[2-(cyclohexen-1-yl)ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95121995

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide (CID 95203259) is 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide is NS(=O)(=O)N1CCN(C(=O)c2cn(C[C@@H]3CCCNC3)nn2)CC1.
What is the InChIKey of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
The InChIKey is BJVCIPJHAJOVNO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N7O3S/c14-24(22,23)20-6-4-18(5-7-20)13(21)12-10-19(17-16-12)9-11-2-1-3-15-8-11/h10-11,15H,1-9H2,(H2,14,22,23)/t11-/m1/s1.
What are the key properties of 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide?
4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide has a molecular weight of 357.44 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 95203259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).