1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one

C19H27N3O2 — CID 74235101

IUPAC1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCCC2c2ccccc2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-20(2)11-12-21-14-16(13-18(21)23)19(24)22-10-6-9-17(22)15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3
InChIKeyCVKXWMBMWQIGGF-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.76
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 74235101) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID74235101
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCCC2c2ccccc2)CC1=O
InChIInChI=1S/C19H27N3O2/c1-20(2)11-12-21-14-16(13-18(21)23)19(24)22-10-6-9-17(22)15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3
InChIKeyCVKXWMBMWQIGGF-UHFFFAOYSA-N
XLogP1.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-(2-methoxyethyl)-4-[(2R)-2-phenylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94047218
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
1-(2-phenylethyl)-4-(2-pyridin-3-ylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 162990301
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
(4R)-1-(2-phenylethyl)-4-[(2S)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013354
(4R)-1-(2-phenylethyl)-4-[(2R)-2-propan-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 97013355
1-[2-(dimethylamino)ethyl]-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one;dihydrochloride
CID 120735194
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
1-(cyclopropylmethyl)-4-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 56811909
(4R)-1-(2-methoxyethyl)-4-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94117809
(7S)-1-[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]-7-phenyl-1,4-diazepan-5-one
CID 94674997

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 74235101) is 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one is CN(C)CCN1CC(C(=O)N2CCCC2c2ccccc2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CVKXWMBMWQIGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20(2)11-12-21-14-16(13-18(21)23)19(24)22-10-6-9-17(22)15-7-4-3-5-8-15/h3-5,7-8,16-17H,6,9-14H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 74235101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).