5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide

C21H30N6O — CID 119900380

IUPAC5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2cccc(N3CCCC3)c2)nnn1C1CCNCC1
InChIInChI=1S/C21H30N6O/c1-15(17-6-5-7-19(14-17)26-12-3-4-13-26)23-21(28)20-16(2)27(25-24-20)18-8-10-22-11-9-18/h5-7,14-15,18,22H,3-4,8-13H2,1-2H3,(H,23,28)
InChIKeyIBZJSEXAUBVWDA-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.60
Rot. Bonds5

About 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide (PubChem CID 119900380) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
PubChem CID119900380
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)c2cccc(N3CCCC3)c2)nnn1C1CCNCC1
InChIInChI=1S/C21H30N6O/c1-15(17-6-5-7-19(14-17)26-12-3-4-13-26)23-21(28)20-16(2)27(25-24-20)18-8-10-22-11-9-18/h5-7,14-15,18,22H,3-4,8-13H2,1-2H3,(H,23,28)
InChIKeyIBZJSEXAUBVWDA-UHFFFAOYSA-N
XLogP2.60
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[1-(3-ethoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119745534
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119809122
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119692488
5-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119851514
N-[3-(difluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767728
N-[1-(3-chlorophenyl)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119716504
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119719869
N-[1-(3-chlorophenyl)pyrrolidin-3-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119899491
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119719868
N-(2,2-diphenylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119688023

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide (CID 119900380) is 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide is Cc1c(C(=O)NC(C)c2cccc(N3CCCC3)c2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
The InChIKey is IBZJSEXAUBVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15(17-6-5-7-19(14-17)26-12-3-4-13-26)23-21(28)20-16(2)27(25-24-20)18-8-10-22-11-9-18/h5-7,14-15,18,22H,3-4,8-13H2,1-2H3,(H,23,28).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.60, 5 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-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 119900380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).