N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H34N6O — CID 119898869

IUPACN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)CCN1CCC(CNC(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C19H34N6O/c1-15(2)5-10-24-11-6-16(7-12-24)13-21-19(26)18-14-25(23-22-18)17-3-8-20-9-4-17/h14-17,20H,3-13H2,1-2H3,(H,21,26)
InChIKeyHBSALHMWUPNRMN-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.69
Rot. Bonds7

About N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119898869) has the molecular formula C19H34N6O and a molecular weight of 362.52 g/mol. Its IUPAC name is N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119898869
Molecular FormulaC19H34N6O
Molecular Weight362.52 g/mol
Exact Mass362.28
IUPAC NameN-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)CCN1CCC(CNC(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C19H34N6O/c1-15(2)5-10-24-11-6-16(7-12-24)13-21-19(26)18-14-25(23-22-18)17-3-8-20-9-4-17/h14-17,20H,3-13H2,1-2H3,(H,21,26)
InChIKeyHBSALHMWUPNRMN-UHFFFAOYSA-N
XLogP1.69
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834433
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-(2-thiomorpholin-4-ylethyl)triazole-4-carboxamide
CID 119853614
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119898869) is N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is CC(C)CCN1CCC(CNC(=O)c2cn(C3CCNCC3)nn2)CC1.
What is the InChIKey of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is HBSALHMWUPNRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O/c1-15(2)5-10-24-11-6-16(7-12-24)13-21-19(26)18-14-25(23-22-18)17-3-8-20-9-4-17/h14-17,20H,3-13H2,1-2H3,(H,21,26).
What are the key properties of N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 362.52 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119898869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).