5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide

C20H29N7O — CID 119841338

IUPAC5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(N3CCCCC3)c2)nnn1C1CCNCC1
InChIInChI=1S/C20H29N7O/c1-15-19(24-25-27(15)17-6-8-21-9-7-17)20(28)23-14-16-5-10-22-18(13-16)26-11-3-2-4-12-26/h5,10,13,17,21H,2-4,6-9,11-12,14H2,1H3,(H,23,28)
InChIKeyCNOPETWVYFORDL-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.83
Rot. Bonds5

About 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide (PubChem CID 119841338) has the molecular formula C20H29N7O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
PubChem CID119841338
Molecular FormulaC20H29N7O
Molecular Weight383.50 g/mol
Exact Mass383.24
IUPAC Name5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccnc(N3CCCCC3)c2)nnn1C1CCNCC1
InChIInChI=1S/C20H29N7O/c1-15-19(24-25-27(15)17-6-8-21-9-7-17)20(28)23-14-16-5-10-22-18(13-16)26-11-3-2-4-12-26/h5,10,13,17,21H,2-4,6-9,11-12,14H2,1H3,(H,23,28)
InChIKeyCNOPETWVYFORDL-UHFFFAOYSA-N
XLogP1.83
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide with MolForge

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Related Compounds

5-methyl-1-piperidin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide
CID 119841519
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-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
CID 119847239
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119684778
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119718209
5-methyl-1-piperidin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide
CID 119691535
5-methyl-1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119725262
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
N-[(2,5-difluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709612
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide (CID 119841338) is 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide is Cc1c(C(=O)NCc2ccnc(N3CCCCC3)c2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide?
The InChIKey is CNOPETWVYFORDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O/c1-15-19(24-25-27(15)17-6-8-21-9-7-17)20(28)23-14-16-5-10-22-18(13-16)26-11-3-2-4-12-26/h5,10,13,17,21H,2-4,6-9,11-12,14H2,1H3,(H,23,28).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 119841338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).