3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one

C22H24N4O2 — CID 4907767

IUPAC3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
SMILESCC(C(=O)N1CCC(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c1-16(26-22(28)19-9-5-6-10-20(19)23-24-26)21(27)25-13-11-18(12-14-25)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3
InChIKeyDUBVETVMKPJNON-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.83
Rot. Bonds4

About 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one

3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one (PubChem CID 4907767) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
PubChem CID4907767
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
SMILESCC(C(=O)N1CCC(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O
InChIInChI=1S/C22H24N4O2/c1-16(26-22(28)19-9-5-6-10-20(19)23-24-26)21(27)25-13-11-18(12-14-25)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3
InChIKeyDUBVETVMKPJNON-UHFFFAOYSA-N
XLogP2.83
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one with MolForge

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Related Compounds

3-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2,3-benzotriazin-4-one
CID 7618889
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
3-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one
CID 4909386
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9445663
3-[1-(2-phenylpropanoyl)piperidin-4-yl]-1,2,3-benzotriazin-4-one
CID 16675558
4-amino-2-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 51496275
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one (CID 4907767) is 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one is CC(C(=O)N1CCC(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O.
What is the InChIKey of 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one?
The InChIKey is DUBVETVMKPJNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(26-22(28)19-9-5-6-10-20(19)23-24-26)21(27)25-13-11-18(12-14-25)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3.
What are the key properties of 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one?
3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 4907767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).