N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C16H28N6O — CID 119830076

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(C3CCNCC3)nn2)CCCC1
InChIInChI=1S/C16H28N6O/c1-21(2)16(7-3-4-8-16)12-18-15(23)14-11-22(20-19-14)13-5-9-17-10-6-13/h11,13,17H,3-10,12H2,1-2H3,(H,18,23)
InChIKeyOLOIGZSYYLBKTE-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.81
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119830076) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119830076
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(C)C1(CNC(=O)c2cn(C3CCNCC3)nn2)CCCC1
InChIInChI=1S/C16H28N6O/c1-21(2)16(7-3-4-8-16)12-18-15(23)14-11-22(20-19-14)13-5-9-17-10-6-13/h11,13,17H,3-10,12H2,1-2H3,(H,18,23)
InChIKeyOLOIGZSYYLBKTE-UHFFFAOYSA-N
XLogP0.81
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119747043
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770249
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 125118838
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119830076) is N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is CN(C)C1(CNC(=O)c2cn(C3CCNCC3)nn2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OLOIGZSYYLBKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-21(2)16(7-3-4-8-16)12-18-15(23)14-11-22(20-19-14)13-5-9-17-10-6-13/h11,13,17H,3-10,12H2,1-2H3,(H,18,23).
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119830076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).