(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one

C20H29N3O3 — CID 95128434

IUPAC(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)CCN1C[C@@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-21(2)10-11-23-14-17(13-19(23)25)20(26)22-8-6-15(7-9-22)16-4-3-5-18(24)12-16/h3-5,12,15,17,24H,6-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyITUHARLSBCHTGJ-KRWDZBQOSA-N
MW359.47 g/mol
LogP1.51
Rot. Bonds5

About (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95128434) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95128434
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)CCN1C[C@@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-21(2)10-11-23-14-17(13-19(23)25)20(26)22-8-6-15(7-9-22)16-4-3-5-18(24)12-16/h3-5,12,15,17,24H,6-11,13-14H2,1-2H3/t17-/m0/s1
InChIKeyITUHARLSBCHTGJ-KRWDZBQOSA-N
XLogP1.51
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120749928
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
3-[1-(1-ethyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]benzonitrile
CID 72883184
(4S)-4-(5-chloro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 95932457
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
1-[2-(dimethylamino)ethyl]-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 131947303
(4S)-4-[(3S)-3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 92606329
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
1-[3-(dimethylamino)propyl]-4-[4-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 108809969

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95128434) is (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one is CN(C)CCN1C[C@@H](C(=O)N2CCC(c3cccc(O)c3)CC2)CC1=O.
What is the InChIKey of (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is ITUHARLSBCHTGJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-21(2)10-11-23-14-17(13-19(23)25)20(26)22-8-6-15(7-9-22)16-4-3-5-18(24)12-16/h3-5,12,15,17,24H,6-11,13-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.47 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95128434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).