N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide

C16H30N6O — CID 119893954

IUPACN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(C)(C)CN(C)C
InChIInChI=1S/C16H30N6O/c1-12(16(2,3)11-21(4)5)18-15(23)14-10-22(20-19-14)13-6-8-17-9-7-13/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,23)
InChIKeyZFVIRRIPIYJXEM-UHFFFAOYSA-N
MW322.46 g/mol
LogP0.91
Rot. Bonds6

About N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide

N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119893954) has the molecular formula C16H30N6O and a molecular weight of 322.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119893954
Molecular FormulaC16H30N6O
Molecular Weight322.46 g/mol
Exact Mass322.25
IUPAC NameN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(C)(C)CN(C)C
InChIInChI=1S/C16H30N6O/c1-12(16(2,3)11-21(4)5)18-15(23)14-10-22(20-19-14)13-6-8-17-9-7-13/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,23)
InChIKeyZFVIRRIPIYJXEM-UHFFFAOYSA-N
XLogP0.91
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
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-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119893954) is N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)C(C)(C)CN(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is ZFVIRRIPIYJXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O/c1-12(16(2,3)11-21(4)5)18-15(23)14-10-22(20-19-14)13-6-8-17-9-7-13/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,23).
What are the key properties of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119893954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).