N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

C11H19N5O2 — CID 63282853

IUPACN-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H19N5O2/c1-8(7-17)13-11(18)10-6-16(15-14-10)9-2-4-12-5-3-9/h6,8-9,12,17H,2-5,7H2,1H3,(H,13,18)
InChIKeyJDRQQCSMPIZLIH-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.69
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63282853) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63282853
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(CO)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H19N5O2/c1-8(7-17)13-11(18)10-6-16(15-14-10)9-2-4-12-5-3-9/h6,8-9,12,17H,2-5,7H2,1H3,(H,13,18)
InChIKeyJDRQQCSMPIZLIH-UHFFFAOYSA-N
XLogP-0.69
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
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-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734870
1-piperidin-4-yl-N-(1-thiophen-2-ylpropan-2-yl)triazole-4-carboxamide
CID 119722713
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863230
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119893954
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide (CID 63282853) is N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is CC(CO)NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is JDRQQCSMPIZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-8(7-17)13-11(18)10-6-16(15-14-10)9-2-4-12-5-3-9/h6,8-9,12,17H,2-5,7H2,1H3,(H,13,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63282853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).