N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

C18H34Cl2N6O — CID 119851112

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCN(CCCNC(=O)c1cn(C2CCNCC2)nn1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C18H32N6O.2ClH/c1-23(15-6-3-2-4-7-15)13-5-10-20-18(25)17-14-24(22-21-17)16-8-11-19-12-9-16;;/h14-16,19H,2-13H2,1H3,(H,20,25);2*1H
InChIKeyGDEALGYPNUDFPK-UHFFFAOYSA-N
MW421.42 g/mol
LogP2.43
Rot. Bonds7

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride

N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119851112) has the molecular formula C18H34Cl2N6O and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119851112
Molecular FormulaC18H34Cl2N6O
Molecular Weight421.42 g/mol
Exact Mass420.22
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
SMILESCN(CCCNC(=O)c1cn(C2CCNCC2)nn1)C1CCCCC1.Cl.Cl
InChIInChI=1S/C18H32N6O.2ClH/c1-23(15-6-3-2-4-7-15)13-5-10-20-18(25)17-14-24(22-21-17)16-8-11-19-12-9-16;;/h14-16,19H,2-13H2,1H3,(H,20,25);2*1H
InChIKeyGDEALGYPNUDFPK-UHFFFAOYSA-N
XLogP2.43
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
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-(5-amino-5-oxopentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 106235634
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)triazole-4-carboxamide;dihydrochloride
CID 119835561
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
N-[2-(cycloheptylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 122080776
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-cyclooctyl-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763852
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride (CID 119851112) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is CN(CCCNC(=O)c1cn(C2CCNCC2)nn1)C1CCCCC1.Cl.Cl.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is GDEALGYPNUDFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O.2ClH/c1-23(15-6-3-2-4-7-15)13-5-10-20-18(25)17-14-24(22-21-17)16-8-11-19-12-9-16;;/h14-16,19H,2-13H2,1H3,(H,20,25);2*1H.
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 421.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119851112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).