N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide

C13H23N5O2 — CID 79250057

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H23N5O2/c1-9(2)12(8-19)15-13(20)11-7-18(17-16-11)10-3-5-14-6-4-10/h7,9-10,12,14,19H,3-6,8H2,1-2H3,(H,15,20)/t12-/m1/s1
InChIKeyIIIRRUDFLKMUPH-GFCCVEGCSA-N
MW281.36 g/mol
LogP-0.05
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 79250057) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID79250057
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C13H23N5O2/c1-9(2)12(8-19)15-13(20)11-7-18(17-16-11)10-3-5-14-6-4-10/h7,9-10,12,14,19H,3-6,8H2,1-2H3,(H,15,20)/t12-/m1/s1
InChIKeyIIIRRUDFLKMUPH-GFCCVEGCSA-N
XLogP-0.05
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
CID 63283433
N-(4-ethylsulfanylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115740009
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119893954
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 79250057) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is CC(C)[C@@H](CO)NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is IIIRRUDFLKMUPH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)12(8-19)15-13(20)11-7-18(17-16-11)10-3-5-14-6-4-10/h7,9-10,12,14,19H,3-6,8H2,1-2H3,(H,15,20)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 79250057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).