N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide

C15H27N5O — CID 63283433

IUPACN-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H27N5O/c1-3-4-5-6-12(2)17-15(21)14-11-20(19-18-14)13-7-9-16-10-8-13/h11-13,16H,3-10H2,1-2H3,(H,17,21)
InChIKeyDCMBDINIMKUYEL-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.90
Rot. Bonds7

About N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide

N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 63283433) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID63283433
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H27N5O/c1-3-4-5-6-12(2)17-15(21)14-11-20(19-18-14)13-7-9-16-10-8-13/h11-13,16H,3-10H2,1-2H3,(H,17,21)
InChIKeyDCMBDINIMKUYEL-UHFFFAOYSA-N
XLogP1.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-(4-ethylsulfanylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 115740009
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734871
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863230
1-(azetidin-3-yl)-N-(6-methylheptan-2-yl)triazole-4-carboxamide
CID 79316211
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-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119893954
N-butyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672309

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide (CID 63283433) is N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide is CCCCCC(C)NC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DCMBDINIMKUYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-4-5-6-12(2)17-15(21)14-11-20(19-18-14)13-7-9-16-10-8-13/h11-13,16H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide?
N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 63283433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).