(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

C19H25N3O4 — CID 94093431

IUPAC(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O4/c1-3-20-13-15(12-17(20)23)19(25)22-10-8-21(9-11-22)18(24)14-4-6-16(26-2)7-5-14/h4-7,15H,3,8-13H2,1-2H3/t15-/m0/s1
InChIKeyDGYQRRFOEQZWFB-HNNXBMFYSA-N
MW359.43 g/mol
LogP0.85
Rot. Bonds4

About (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one

(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94093431) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID94093431
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O4/c1-3-20-13-15(12-17(20)23)19(25)22-10-8-21(9-11-22)18(24)14-4-6-16(26-2)7-5-14/h4-7,15H,3,8-13H2,1-2H3/t15-/m0/s1
InChIKeyDGYQRRFOEQZWFB-HNNXBMFYSA-N
XLogP0.85
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-ethyl-4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94093428
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
1-benzyl-4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108545946
4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 46597771
(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
4-[4-(3,4-dimethylbenzoyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346248
4-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 108545947
1-[(4-methoxyphenyl)methyl]-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119564011
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
(4R)-4-(4-ethylpiperazine-1-carbonyl)-1-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 93017942
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 94093431) is (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one is CCN1C[C@@H](C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)CC1=O.
What is the InChIKey of (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DGYQRRFOEQZWFB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-3-20-13-15(12-17(20)23)19(25)22-10-8-21(9-11-22)18(24)14-4-6-16(26-2)7-5-14/h4-7,15H,3,8-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 359.43 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-4-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94093431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).