3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one

C25H31N3O2 — CID 25270970

IUPAC3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
SMILESCC1C(=O)CC(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-19-23(29)17-22(20-9-5-3-6-10-20)28(25(19)21-11-7-4-8-12-21)24(30)18-27-15-13-26(2)14-16-27/h3-12,19,22,25H,13-18H2,1-2H3
InChIKeyJXTBNRSUDIFCMY-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.15
Rot. Bonds4

About 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one

3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one (PubChem CID 25270970) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
PubChem CID25270970
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one
SMILESCC1C(=O)CC(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-19-23(29)17-22(20-9-5-3-6-10-20)28(25(19)21-11-7-4-8-12-21)24(30)18-27-15-13-26(2)14-16-27/h3-12,19,22,25H,13-18H2,1-2H3
InChIKeyJXTBNRSUDIFCMY-UHFFFAOYSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one with MolForge

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Related Compounds

ethyl 4-[2-[2,6-bis(3-fluorophenyl)-3-methyl-4-oxopiperidin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 71595769
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
1-chloro-3-methyl-2,6-diphenylpiperidin-4-one
CID 13185093
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
2-(4-methyl-3-phenylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 171387000
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
1-(2-chloroacetyl)-3,5-dimethyl-2,6-diphenylpiperidin-4-one
CID 16737018
(2S,3R,6R)-1-(2,2-dichloroacetyl)-3-ethyl-2,6-diphenylpiperidin-4-one
CID 139085589
(1S,4R,8R)-9-[2-(4-methyl-1,4-diazepan-1-yl)acetyl]-4-phenyl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155501133
2-(4-methylpiperazin-1-yl)-1-(1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone;dihydrochloride
CID 21156229
(2S,3R,6S)-2-ethenyl-3-methyl-6-phenyl-1-prop-2-enylpiperidin-4-one
CID 101181670

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The IUPAC name of 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one (CID 25270970) is 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one.
What is the SMILES notation for 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The canonical SMILES for 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one is CC1C(=O)CC(c2ccccc2)N(C(=O)CN2CCN(C)CC2)C1c1ccccc1.
What is the InChIKey of 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
The InChIKey is JXTBNRSUDIFCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-19-23(29)17-22(20-9-5-3-6-10-20)28(25(19)21-11-7-4-8-12-21)24(30)18-27-15-13-26(2)14-16-27/h3-12,19,22,25H,13-18H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one?
3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one has a molecular weight of 405.54 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(4-methylpiperazin-1-yl)acetyl]-2,6-diphenylpiperidin-4-one is sourced from PubChem (CID 25270970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).