[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone

C20H33N5O — CID 26318869

IUPAC[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(C2CCN(C3CCCCCC3)CC2)nn1)N1CCCCC1
InChIInChI=1S/C20H33N5O/c26-20(24-12-6-3-7-13-24)19-16-25(22-21-19)18-10-14-23(15-11-18)17-8-4-1-2-5-9-17/h16-18H,1-15H2
InChIKeyOCZNNYPYWLSTHJ-UHFFFAOYSA-N
MW359.52 g/mol
LogP3.26
Rot. Bonds3

About [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone

[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 26318869) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
PubChem CID26318869
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(C2CCN(C3CCCCCC3)CC2)nn1)N1CCCCC1
InChIInChI=1S/C20H33N5O/c26-20(24-12-6-3-7-13-24)19-16-25(22-21-19)18-10-14-23(15-11-18)17-8-4-1-2-5-9-17/h16-18H,1-15H2
InChIKeyOCZNNYPYWLSTHJ-UHFFFAOYSA-N
XLogP3.26
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
(1-cyclohexyltriazol-4-yl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 25381434
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
1-(1-cyclohexylpiperidin-4-yl)-N-cyclopropyltriazole-4-carboxamide
CID 26355434
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
(4-cyclohexyl-1,4-diazepan-1-yl)-[1-(cyclohexylmethyl)triazol-4-yl]methanone
CID 42240876
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 70720670
[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 56718022
1-[(3R)-1-cyclobutylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129493827
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
CID 42357046

Frequently Asked Questions

What is the IUPAC name of [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone (CID 26318869) is [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone is O=C(c1cn(C2CCN(C3CCCCCC3)CC2)nn1)N1CCCCC1.
What is the InChIKey of [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OCZNNYPYWLSTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c26-20(24-12-6-3-7-13-24)19-16-25(22-21-19)18-10-14-23(15-11-18)17-8-4-1-2-5-9-17/h16-18H,1-15H2.
What are the key properties of [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone?
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 359.52 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 26318869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).