3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide

C24H30N4O5 — CID 167817117

IUPAC3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCCC(C3CCN(C(=O)CCN4C(=O)CCC4=O)C3)C2)c1
InChIInChI=1S/C24H30N4O5/c25-23(32)16-3-1-4-17(13-16)24(33)27-10-2-5-18(15-27)19-8-11-26(14-19)20(29)9-12-28-21(30)6-7-22(28)31/h1,3-4,13,18-19H,2,5-12,14-15H2,(H2,25,32)
InChIKeyXQTQTVWDSZYPNS-UHFFFAOYSA-N
MW454.53 g/mol
LogP1.03
Rot. Bonds6

About 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide

3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide (PubChem CID 167817117) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide
PubChem CID167817117
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Name3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCCC(C3CCN(C(=O)CCN4C(=O)CCC4=O)C3)C2)c1
InChIInChI=1S/C24H30N4O5/c25-23(32)16-3-1-4-17(13-16)24(33)27-10-2-5-18(15-27)19-8-11-26(14-19)20(29)9-12-28-21(30)6-7-22(28)31/h1,3-4,13,18-19H,2,5-12,14-15H2,(H2,25,32)
InChIKeyXQTQTVWDSZYPNS-UHFFFAOYSA-N
XLogP1.03
TPSA121.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 51.03
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

[3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]urea
CID 9225541
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-sulfanylphenyl)methanone
CID 107023397
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)benzenecarbothioamide
CID 115559904
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CID 66769264
ethyl N-[3-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]phenyl]carbamate
CID 9225746
2-[4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-oxobutyl]isoindole-1,3-dione
CID 8803181
[3-(aminomethyl)phenyl]-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone
CID 81199131
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide?
The IUPAC name of 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide (CID 167817117) is 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide?
The canonical SMILES for 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide is NC(=O)c1cccc(C(=O)N2CCCC(C3CCN(C(=O)CCN4C(=O)CCC4=O)C3)C2)c1.
What is the InChIKey of 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide?
The InChIKey is XQTQTVWDSZYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c25-23(32)16-3-1-4-17(13-16)24(33)27-10-2-5-18(15-27)19-8-11-26(14-19)20(29)9-12-28-21(30)6-7-22(28)31/h1,3-4,13,18-19H,2,5-12,14-15H2,(H2,25,32).
What are the key properties of 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide?
3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide has a molecular weight of 454.53 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]pyrrolidin-3-yl]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167817117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).