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

C19H26N6O — CID 45167027

IUPACpiperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
SMILESO=C(c1cn(C2CCCN(Cc3ccccn3)C2)nn1)N1CCCCC1
InChIInChI=1S/C19H26N6O/c26-19(24-11-4-1-5-12-24)18-15-25(22-21-18)17-8-6-10-23(14-17)13-16-7-2-3-9-20-16/h2-3,7,9,15,17H,1,4-6,8,10-14H2
InChIKeyMWUKSZSZXADQPF-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.14
Rot. Bonds4

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

piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone (PubChem CID 45167027) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
PubChem CID45167027
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Namepiperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
SMILESO=C(c1cn(C2CCCN(Cc3ccccn3)C2)nn1)N1CCCCC1
InChIInChI=1S/C19H26N6O/c26-19(24-11-4-1-5-12-24)18-15-25(22-21-18)17-8-6-10-23(14-17)13-16-7-2-3-9-20-16/h2-3,7,9,15,17H,1,4-6,8,10-14H2
InChIKeyMWUKSZSZXADQPF-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42319702
[1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45165944
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
[1-[(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42168076
[1-[1-(3-phenylprop-2-enyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 74780580
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558
[1-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45240301
piperidin-1-yl-[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45166683
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 5116844
[1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42272938
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
The IUPAC name of piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone (CID 45167027) is piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
The canonical SMILES for piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone is O=C(c1cn(C2CCCN(Cc3ccccn3)C2)nn1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
The InChIKey is MWUKSZSZXADQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c26-19(24-11-4-1-5-12-24)18-15-25(22-21-18)17-8-6-10-23(14-17)13-16-7-2-3-9-20-16/h2-3,7,9,15,17H,1,4-6,8,10-14H2.
What are the key properties of piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone?
piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[1-[1-(pyridin-2-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone is sourced from PubChem (CID 45167027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).