5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride

C21H32Cl2N6O — CID 119847239

IUPAC5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NCc2cccc(CN3CCCC3)c2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H30N6O.2ClH/c1-16-20(24-25-27(16)19-7-9-22-10-8-19)21(28)23-14-17-5-4-6-18(13-17)15-26-11-2-3-12-26;;/h4-6,13,19,22H,2-3,7-12,14-15H2,1H3,(H,23,28);2*1H
InChIKeyGQZWHVFPONSVBY-UHFFFAOYSA-N
MW455.43 g/mol
LogP2.88
Rot. Bonds6

About 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride

5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride (PubChem CID 119847239) has the molecular formula C21H32Cl2N6O and a molecular weight of 455.43 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
PubChem CID119847239
Molecular FormulaC21H32Cl2N6O
Molecular Weight455.43 g/mol
Exact Mass454.20
IUPAC Name5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NCc2cccc(CN3CCCC3)c2)nnn1C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H30N6O.2ClH/c1-16-20(24-25-27(16)19-7-9-22-10-8-19)21(28)23-14-17-5-4-6-18(13-17)15-26-11-2-3-12-26;;/h4-6,13,19,22H,2-3,7-12,14-15H2,1H3,(H,23,28);2*1H
InChIKeyGQZWHVFPONSVBY-UHFFFAOYSA-N
XLogP2.88
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
5-methyl-1-piperidin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841519
N-(1-benzylpiperidin-3-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119855950
5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841338
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119684778
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119399369
5-methyl-1-piperidin-4-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 119399541
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119832019
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride (CID 119847239) is 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)NCc2cccc(CN3CCCC3)c2)nnn1C1CCNCC1.Cl.Cl.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride?
The InChIKey is GQZWHVFPONSVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O.2ClH/c1-16-20(24-25-27(16)19-7-9-22-10-8-19)21(28)23-14-17-5-4-6-18(13-17)15-26-11-2-3-12-26;;/h4-6,13,19,22H,2-3,7-12,14-15H2,1H3,(H,23,28);2*1H.
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride?
5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride has a molecular weight of 455.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119847239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).