N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide

C14H25N5O — CID 26343423

IUPACN-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
SMILESCCCN1CCC[C@H](n2cc(C(=O)NC(C)C)nn2)C1
InChIInChI=1S/C14H25N5O/c1-4-7-18-8-5-6-12(9-18)19-10-13(16-17-19)14(20)15-11(2)3/h10-12H,4-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyMJTWUURVUAVADU-LBPRGKRZSA-N
MW279.39 g/mol
LogP1.46
Rot. Bonds5

About N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide

N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide (PubChem CID 26343423) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
PubChem CID26343423
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide
SMILESCCCN1CCC[C@H](n2cc(C(=O)NC(C)C)nn2)C1
InChIInChI=1S/C14H25N5O/c1-4-7-18-8-5-6-12(9-18)19-10-13(16-17-19)14(20)15-11(2)3/h10-12H,4-9H2,1-3H3,(H,15,20)/t12-/m0/s1
InChIKeyMJTWUURVUAVADU-LBPRGKRZSA-N
XLogP1.46
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-1-[(3R)-1-propylpiperidin-3-yl]triazole-4-carboxamide
CID 26343421
1-[(3S)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 42357932
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45232594
1-[(3R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42472948
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 26337547
1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79309455
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45206580
methyl 4-[[4-[4-(propan-2-ylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 26352779
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863230
N-(3-hydroxypropyl)-1-[(3S)-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 28811962
1-[(3R)-1-[(4-ethylphenyl)methyl]piperidin-3-yl]-N-(3-hydroxypropyl)triazole-4-carboxamide
CID 26354413
N-cyclopentyl-1-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]triazole-4-carboxamide
CID 26351057

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide (CID 26343423) is N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide is CCCN1CCC[C@H](n2cc(C(=O)NC(C)C)nn2)C1.
What is the InChIKey of N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide?
The InChIKey is MJTWUURVUAVADU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-7-18-8-5-6-12(9-18)19-10-13(16-17-19)14(20)15-11(2)3/h10-12H,4-9H2,1-3H3,(H,15,20)/t12-/m0/s1.
What are the key properties of N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide?
N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[(3S)-1-propylpiperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 26343423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).