1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide

C14H24N6O — CID 70768511

IUPAC1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)N[C@H]3CCCNC3)nn2)CC1
InChIInChI=1S/C14H24N6O/c15-10-3-5-12(6-4-10)20-9-13(18-19-20)14(21)17-11-2-1-7-16-8-11/h9-12,16H,1-8,15H2,(H,17,21)/t10?,11-,12?/m0/s1
InChIKeySBWUTNGFEJFFNG-CXQJBGSLSA-N
MW292.39 g/mol
LogP0.20
Rot. Bonds3

About 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide

1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide (PubChem CID 70768511) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
PubChem CID70768511
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide
SMILESNC1CCC(n2cc(C(=O)N[C@H]3CCCNC3)nn2)CC1
InChIInChI=1S/C14H24N6O/c15-10-3-5-12(6-4-10)20-9-13(18-19-20)14(21)17-11-2-1-7-16-8-11/h9-12,16H,1-8,15H2,(H,17,21)/t10?,11-,12?/m0/s1
InChIKeySBWUTNGFEJFFNG-CXQJBGSLSA-N
XLogP0.20
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298
1-phenyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119425815
1-(4-aminocyclohexyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]triazole-4-carboxamide
CID 98273747
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
1-(azetidin-3-yl)-N-(2-oxopiperidin-3-yl)triazole-4-carboxamide
CID 79317007
N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 167792374
1-(1-piperidin-3-yltriazol-4-yl)ethanone
CID 164663675
1-(azetidin-3-yl)-N-(2-hydroxycyclohexyl)triazole-4-carboxamide
CID 79316545

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide (CID 70768511) is 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide is NC1CCC(n2cc(C(=O)N[C@H]3CCCNC3)nn2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is SBWUTNGFEJFFNG-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H24N6O/c15-10-3-5-12(6-4-10)20-9-13(18-19-20)14(21)17-11-2-1-7-16-8-11/h9-12,16H,1-8,15H2,(H,17,21)/t10?,11-,12?/m0/s1.
What are the key properties of 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide?
1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 292.39 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[(3S)-piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 70768511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).