1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide

C13H20N6O2 — CID 158624105

IUPAC1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn([C@@H]2CNC[C@H](C(=O)N3CCCC3)C2)nn1
InChIInChI=1S/C13H20N6O2/c14-12(20)11-8-19(17-16-11)10-5-9(6-15-7-10)13(21)18-3-1-2-4-18/h8-10,15H,1-7H2,(H2,14,20)/t9-,10+/m1/s1
InChIKeyHYJJFBGOYJEHEU-ZJUUUORDSA-N
MW292.34 g/mol
LogP-0.85
Rot. Bonds3

About 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide

1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 158624105) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID158624105
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide
SMILESNC(=O)c1cn([C@@H]2CNC[C@H](C(=O)N3CCCC3)C2)nn1
InChIInChI=1S/C13H20N6O2/c14-12(20)11-8-19(17-16-11)10-5-9(6-15-7-10)13(21)18-3-1-2-4-18/h8-10,15H,1-7H2,(H2,14,20)/t9-,10+/m1/s1
InChIKeyHYJJFBGOYJEHEU-ZJUUUORDSA-N
XLogP-0.85
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-5-(1,3-oxazol-5-yl)piperidin-3-yl]triazole-4-carboxamide
CID 161244932
(3S)-1-[1-(azetidin-3-yl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 81126368
1-[1-(azetidin-3-yl)triazole-4-carbonyl]azetidine-3-carboxylic acid
CID 79327249
1-[1-(azetidin-3-yl)triazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 79316304
1-[1-(azetidin-3-yl)triazol-4-yl]-2,2-dimethylpropan-1-one
CID 116590690
1-(azetidin-3-yl)-N-ethoxytriazole-4-carboxamide
CID 79316945
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(azetidin-3-yl)triazol-4-yl]methanone
CID 79318684
[1-(azetidin-3-yl)triazol-4-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 79316530
[1-(azetidin-3-yl)triazol-4-yl]-(4-methoxypiperidin-1-yl)methanone
CID 79316756
cyclohexylmethyl 1-(azetidin-3-yl)triazole-4-carboxylate
CID 79310176
[1-(azetidin-3-yl)triazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79320031
N-(4-amino-2-methyl-4-oxobutan-2-yl)-1-(azetidin-3-yl)triazole-4-carboxamide
CID 106096632

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide (CID 158624105) is 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide is NC(=O)c1cn([C@@H]2CNC[C@H](C(=O)N3CCCC3)C2)nn1.
What is the InChIKey of 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is HYJJFBGOYJEHEU-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H20N6O2/c14-12(20)11-8-19(17-16-11)10-5-9(6-15-7-10)13(21)18-3-1-2-4-18/h8-10,15H,1-7H2,(H2,14,20)/t9-,10+/m1/s1.
What are the key properties of 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide?
1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,5R)-5-(pyrrolidine-1-carbonyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 158624105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).