1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

C25H36N4O3 — CID 42920451

IUPAC1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)C1
InChIInChI=1S/C25H36N4O3/c1-19-13-20(2)16-29(15-19)24(31)18-26-9-11-27(12-10-26)25(32)22-6-3-5-21(14-22)17-28-8-4-7-23(28)30/h3,5-6,14,19-20H,4,7-13,15-18H2,1-2H3
InChIKeyONKWLBMYGSVNKY-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.07
Rot. Bonds5

About 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one

1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (PubChem CID 42920451) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
PubChem CID42920451
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)C1
InChIInChI=1S/C25H36N4O3/c1-19-13-20(2)16-29(15-19)24(31)18-26-9-11-27(12-10-26)25(32)22-6-3-5-21(14-22)17-28-8-4-7-23(28)30/h3,5-6,14,19-20H,4,7-13,15-18H2,1-2H3
InChIKeyONKWLBMYGSVNKY-UHFFFAOYSA-N
XLogP2.07
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
2-[4-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperazin-1-yl]-N-phenylacetamide
CID 39155559
2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 47536734
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51926336
1-[[3-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 17453970
1-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylic acid
CID 45340369
1-[[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9208433
1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097
1-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9210040
1-[[3-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 9255772
1-[[3-[4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55406954
1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one (CID 42920451) is 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is CC1CC(C)CN(C(=O)CN2CCN(C(=O)c3cccc(CN4CCCC4=O)c3)CC2)C1.
What is the InChIKey of 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
The InChIKey is ONKWLBMYGSVNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-19-13-20(2)16-29(15-19)24(31)18-26-9-11-27(12-10-26)25(32)22-6-3-5-21(14-22)17-28-8-4-7-23(28)30/h3,5-6,14,19-20H,4,7-13,15-18H2,1-2H3.
What are the key properties of 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one?
1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one has a molecular weight of 440.59 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 42920451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).