[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone

C15H20N6O — CID 119492333

IUPAC[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
SMILESCNC1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)C1
InChIInChI=1S/C15H20N6O/c1-16-12-6-4-8-20(9-12)15(22)14-11-21(19-18-14)10-13-5-2-3-7-17-13/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3
InChIKeyZWPLFBAQMKDCJZ-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.55
Rot. Bonds4

About [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone

[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone (PubChem CID 119492333) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
PubChem CID119492333
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
SMILESCNC1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)C1
InChIInChI=1S/C15H20N6O/c1-16-12-6-4-8-20(9-12)15(22)14-11-21(19-18-14)10-13-5-2-3-7-17-13/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3
InChIKeyZWPLFBAQMKDCJZ-UHFFFAOYSA-N
XLogP0.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 42099202
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45167027
(3-methoxypyrrolidin-1-yl)-[1-(2-pyridin-2-ylethyl)triazol-4-yl]methanone
CID 138051926
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124574837
[1-(pyridin-2-ylmethyl)triazol-4-yl]-[7-(trifluoromethyl)-1,4-diazepan-1-yl]methanone
CID 167780951
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119490474
(3-methylcyclohexyl) 1-(pyridin-2-ylmethyl)triazole-4-carboxylate
CID 71988198
(2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 122137490
[(3R)-3-(methylamino)piperidin-1-yl]-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 124574925
N-[2-(aminomethyl)cyclopentyl]-1-(pyridin-2-ylmethyl)triazole-4-carboxamide;dihydrochloride
CID 119604139

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone (CID 119492333) is [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone is CNC1CCCN(C(=O)c2cn(Cc3ccccn3)nn2)C1.
What is the InChIKey of [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone?
The InChIKey is ZWPLFBAQMKDCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-16-12-6-4-8-20(9-12)15(22)14-11-21(19-18-14)10-13-5-2-3-7-17-13/h2-3,5,7,11-12,16H,4,6,8-10H2,1H3.
What are the key properties of [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone?
[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone has a molecular weight of 300.37 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 119492333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).