N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C17H32Cl2N6O — CID 119863230

IUPACN-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCC1CCCN(CC(C)NC(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl
InChIInChI=1S/C17H30N6O.2ClH/c1-13-4-3-9-22(10-13)11-14(2)19-17(24)16-12-23(21-20-16)15-5-7-18-8-6-15;;/h12-15,18H,3-11H2,1-2H3,(H,19,24);2*1H
InChIKeyDMEAIPDAEDTGJS-UHFFFAOYSA-N
MW407.39 g/mol
LogP1.90
Rot. Bonds5

About N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119863230) has the molecular formula C17H32Cl2N6O and a molecular weight of 407.39 g/mol. Its IUPAC name is N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119863230
Molecular FormulaC17H32Cl2N6O
Molecular Weight407.39 g/mol
Exact Mass406.20
IUPAC NameN-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCC1CCCN(CC(C)NC(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl
InChIInChI=1S/C17H30N6O.2ClH/c1-13-4-3-9-22(10-13)11-14(2)19-17(24)16-12-23(21-20-16)15-5-7-18-8-6-15;;/h12-15,18H,3-11H2,1-2H3,(H,19,24);2*1H
InChIKeyDMEAIPDAEDTGJS-UHFFFAOYSA-N
XLogP1.90
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
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-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119834433
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-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[1-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734870
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-(1-ethylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119862379
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119863230) is N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CC1CCCN(CC(C)NC(=O)c2cn(C3CCNCC3)nn2)C1.Cl.Cl.
What is the InChIKey of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is DMEAIPDAEDTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O.2ClH/c1-13-4-3-9-22(10-13)11-14(2)19-17(24)16-12-23(21-20-16)15-5-7-18-8-6-15;;/h12-15,18H,3-11H2,1-2H3,(H,19,24);2*1H.
What are the key properties of N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 407.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119863230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).