1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide

C16H22N6O — CID 50973548

IUPAC1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1cn(CC2CCCNC2)nn1
InChIInChI=1S/C16H22N6O/c23-16(19-8-5-13-3-1-6-17-9-13)15-12-22(21-20-15)11-14-4-2-7-18-10-14/h1,3,6,9,12,14,18H,2,4-5,7-8,10-11H2,(H,19,23)
InChIKeyVHOPVHGVYLUTQL-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.65
Rot. Bonds6

About 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide

1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide (PubChem CID 50973548) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
PubChem CID50973548
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1cn(CC2CCCNC2)nn1
InChIInChI=1S/C16H22N6O/c23-16(19-8-5-13-3-1-6-17-9-13)15-12-22(21-20-15)11-14-4-2-7-18-10-14/h1,3,6,9,12,14,18H,2,4-5,7-8,10-11H2,(H,19,23)
InChIKeyVHOPVHGVYLUTQL-UHFFFAOYSA-N
XLogP0.65
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95121995
N-(3-phenylsulfanylpropyl)-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 99959733
1-[[(3S)-piperidin-3-yl]methyl]-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 95222094
N-[2-[methyl(methylsulfonyl)amino]ethyl]-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95205588
N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95149109
N-[(5-ethyl-2-pyridinyl)methyl]-1-[[(3S)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95146832
N-[(4-phenyloxan-4-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 118792392
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 135990311
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56713630
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-[[(3R)-piperidin-3-yl]methyl]triazole-4-carboxamide
CID 95218053

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide (CID 50973548) is 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide is O=C(NCCc1cccnc1)c1cn(CC2CCCNC2)nn1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
The InChIKey is VHOPVHGVYLUTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c23-16(19-8-5-13-3-1-6-17-9-13)15-12-22(21-20-15)11-14-4-2-7-18-10-14/h1,3,6,9,12,14,18H,2,4-5,7-8,10-11H2,(H,19,23).
What are the key properties of 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide?
1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)-N-(2-pyridin-3-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 50973548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).