1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide

C19H26N4O5 — CID 7216120

IUPAC1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC
InChIInChI=1S/C19H26N4O5/c1-27-15-4-3-14(10-16(15)28-2)23-11-13(9-17(23)24)21-19(26)22-7-5-12(6-8-22)18(20)25/h3-4,10,12-13H,5-9,11H2,1-2H3,(H2,20,25)(H,21,26)/t13-/m0/s1
InChIKeyUTRJWRULHPPSNW-ZDUSSCGKSA-N
MW390.44 g/mol
LogP0.72
Rot. Bonds5

About 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide

1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide (PubChem CID 7216120) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
PubChem CID7216120
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC
InChIInChI=1S/C19H26N4O5/c1-27-15-4-3-14(10-16(15)28-2)23-11-13(9-17(23)24)21-19(26)22-7-5-12(6-8-22)18(20)25/h3-4,10,12-13H,5-9,11H2,1-2H3,(H2,20,25)(H,21,26)/t13-/m0/s1
InChIKeyUTRJWRULHPPSNW-ZDUSSCGKSA-N
XLogP0.72
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7552386
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7244374
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]morpholine-4-carboxamide
CID 7244367
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazin-4-ium-1-carboxamide
CID 7244371
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-ethylpiperazine-1-carboxamide
CID 16801455
1-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1,4-dicarboxamide
CID 7209085
4-(4-acetylphenyl)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 41234851
4-benzyl-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 30508803
4-benzyl-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 30508800
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 16808956
ethyl 1-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542980

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide (CID 7216120) is 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide is COc1ccc(N2C[C@@H](NC(=O)N3CCC(C(N)=O)CC3)CC2=O)cc1OC.
What is the InChIKey of 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
The InChIKey is UTRJWRULHPPSNW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-27-15-4-3-14(10-16(15)28-2)23-11-13(9-17(23)24)21-19(26)22-7-5-12(6-8-22)18(20)25/h3-4,10,12-13H,5-9,11H2,1-2H3,(H2,20,25)(H,21,26)/t13-/m0/s1.
What are the key properties of 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide?
1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 7216120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).