1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one

C19H27N3O2 — CID 119562077

IUPAC1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(NC)CC2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-3-14-6-4-5-7-17(14)22-13-15(12-18(22)23)19(24)21-10-8-16(20-2)9-11-21/h4-7,15-16,20H,3,8-13H2,1-2H3
InChIKeyADWQHOZEHHFUCT-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.81
Rot. Bonds4

About 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one

1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 119562077) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID119562077
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(C(=O)N2CCC(NC)CC2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-3-14-6-4-5-7-17(14)22-13-15(12-18(22)23)19(24)21-10-8-16(20-2)9-11-21/h4-7,15-16,20H,3,8-13H2,1-2H3
InChIKeyADWQHOZEHHFUCT-UHFFFAOYSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
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)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 55932291
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 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one (CID 119562077) is 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one is CCc1ccccc1N1CC(C(=O)N2CCC(NC)CC2)CC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ADWQHOZEHHFUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-14-6-4-5-7-17(14)22-13-15(12-18(22)23)19(24)21-10-8-16(20-2)9-11-21/h4-7,15-16,20H,3,8-13H2,1-2H3.
What are the key properties of 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 119562077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).