1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide

C21H26N4O4 — CID 1282161

IUPAC1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1
InChIInChI=1S/C21H26N4O4/c22-20(28)15-7-10-23(11-8-15)17-12-19(27)25(21(17)29)13-14-3-5-16(6-4-14)24-9-1-2-18(24)26/h3-6,15,17H,1-2,7-13H2,(H2,22,28)/t17-/m0/s1
InChIKeyMNPMZAUGCVRPFT-KRWDZBQOSA-N
MW398.46 g/mol
LogP0.64
Rot. Bonds5

About 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide

1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 1282161) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID1282161
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1
InChIInChI=1S/C21H26N4O4/c22-20(28)15-7-10-23(11-8-15)17-12-19(27)25(21(17)29)13-14-3-5-16(6-4-14)24-9-1-2-18(24)26/h3-6,15,17H,1-2,7-13H2,(H2,22,28)/t17-/m0/s1
InChIKeyMNPMZAUGCVRPFT-KRWDZBQOSA-N
XLogP0.64
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 27833260
(3S)-3-(4-benzhydrylpiperazin-1-yl)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 51620732
(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 51633742
(3S)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51617354
5-oxo-1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-3-carboxamide
CID 168697848
1-[(3R)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 795385
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 51620013
1-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 3901669
(3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 6978644
3-(2-morpholin-4-ylethylamino)-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-2,5-dione
CID 661474

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide (CID 1282161) is 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN([C@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1.
What is the InChIKey of 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is MNPMZAUGCVRPFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O4/c22-20(28)15-7-10-23(11-8-15)17-12-19(27)25(21(17)29)13-14-3-5-16(6-4-14)24-9-1-2-18(24)26/h3-6,15,17H,1-2,7-13H2,(H2,22,28)/t17-/m0/s1.
What are the key properties of 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide?
1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 1282161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).