N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C14H26Cl2N6O — CID 119863842

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)c1cn(C2CCNCC2)nn1)C1CC1.Cl.Cl
InChIInChI=1S/C14H24N6O.2ClH/c1-19(11-2-3-11)9-8-16-14(21)13-10-20(18-17-13)12-4-6-15-7-5-12;;/h10-12,15H,2-9H2,1H3,(H,16,21);2*1H
InChIKeyPTDYRCSFKSWRGJ-UHFFFAOYSA-N
MW365.31 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119863842) has the molecular formula C14H26Cl2N6O and a molecular weight of 365.31 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119863842
Molecular FormulaC14H26Cl2N6O
Molecular Weight365.31 g/mol
Exact Mass364.15
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)c1cn(C2CCNCC2)nn1)C1CC1.Cl.Cl
InChIInChI=1S/C14H24N6O.2ClH/c1-19(11-2-3-11)9-8-16-14(21)13-10-20(18-17-13)12-4-6-15-7-5-12;;/h10-12,15H,2-9H2,1H3,(H,16,21);2*1H
InChIKeyPTDYRCSFKSWRGJ-UHFFFAOYSA-N
XLogP0.87
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851112
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[4-(N-methylanilino)butyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861961
N-[3-[benzyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119835652
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-but-3-enyl-1-piperidin-4-yltriazole-4-carboxamide
CID 113465689
N-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119863842) is N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CN(CCNC(=O)c1cn(C2CCNCC2)nn1)C1CC1.Cl.Cl.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is PTDYRCSFKSWRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O.2ClH/c1-19(11-2-3-11)9-8-16-14(21)13-10-20(18-17-13)12-4-6-15-7-5-12;;/h10-12,15H,2-9H2,1H3,(H,16,21);2*1H.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 365.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119863842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).