4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one

C25H30N2O2 — CID 17120290

IUPAC4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C25H30N2O2/c1-2-21-10-6-7-11-23(21)27-18-22(17-24(27)28)25(29)26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20,22H,2,12-18H2,1H3
InChIKeyVBPCAHHDNICDDF-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.08
Rot. Bonds5

About 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one

4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 17120290) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID17120290
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C25H30N2O2/c1-2-21-10-6-7-11-23(21)27-18-22(17-24(27)28)25(29)26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20,22H,2,12-18H2,1H3
InChIKeyVBPCAHHDNICDDF-UHFFFAOYSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 124628195
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
4-(4-benzylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830375
1-(2-ethylphenyl)-4-[4-(2-methylsulfonylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 56544658
(4R)-4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 9415361
(4R)-1-(2-ethylphenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9081525

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one (CID 17120290) is 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1N1CC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O.
What is the InChIKey of 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is VBPCAHHDNICDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-21-10-6-7-11-23(21)27-18-22(17-24(27)28)25(29)26-14-12-20(13-15-26)16-19-8-4-3-5-9-19/h3-11,20,22H,2,12-18H2,1H3.
What are the key properties of 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one?
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 390.53 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17120290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).