3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one

C24H26N4O2 — CID 16669188

IUPAC3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
SMILESO=C(N1CCC(n2nnc3ccccc3c2=O)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H26N4O2/c29-22-20-10-4-5-11-21(20)25-26-28(22)19-12-16-27(17-13-19)23(30)24(14-6-7-15-24)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
InChIKeyRHJCGHNKXFMPJK-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.47
Rot. Bonds3

About 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one

3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one (PubChem CID 16669188) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
PubChem CID16669188
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
SMILESO=C(N1CCC(n2nnc3ccccc3c2=O)CC1)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H26N4O2/c29-22-20-10-4-5-11-21(20)25-26-28(22)19-12-16-27(17-13-19)23(30)24(14-6-7-15-24)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2
InChIKeyRHJCGHNKXFMPJK-UHFFFAOYSA-N
XLogP3.47
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-phenylpropanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16675558
3-[1-(2-phenylbutanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16672276
3-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16669189
4-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 53299079
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
(1-phenylcyclopentyl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110103059
(1-phenylcyclopentyl)-[3-(3-propan-2-yl-1,2,4-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 163338729
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
3-[1-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 95807617
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
CID 86834895

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one (CID 16669188) is 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one is O=C(N1CCC(n2nnc3ccccc3c2=O)CC1)C1(c2ccccc2)CCCC1.
What is the InChIKey of 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
The InChIKey is RHJCGHNKXFMPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-22-20-10-4-5-11-21(20)25-26-28(22)19-12-16-27(17-13-19)23(30)24(14-6-7-15-24)18-8-2-1-3-9-18/h1-5,8-11,19H,6-7,12-17H2.
What are the key properties of 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one?
3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one has a molecular weight of 402.50 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenylcyclopentanecarbonyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 16669188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).