4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

C23H30N4O3 — CID 50845783

IUPAC4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1ccc(N2C(=O)C=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H30N4O3/c28-21-17-20(26-15-2-1-3-16-26)23(30)27(21)19-9-7-18(8-10-19)22(29)24-11-6-14-25-12-4-5-13-25/h7-10,17H,1-6,11-16H2,(H,24,29)
InChIKeyJQFIFRCBJFWUGF-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.15
Rot. Bonds7

About 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide

4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (PubChem CID 50845783) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
PubChem CID50845783
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
SMILESO=C(NCCCN1CCCC1)c1ccc(N2C(=O)C=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H30N4O3/c28-21-17-20(26-15-2-1-3-16-26)23(30)27(21)19-9-7-18(8-10-19)22(29)24-11-6-14-25-12-4-5-13-25/h7-10,17H,1-6,11-16H2,(H,24,29)
InChIKeyJQFIFRCBJFWUGF-UHFFFAOYSA-N
XLogP2.15
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzamide
CID 50846272
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
9-oxo-N-(3-piperidin-1-ylpropyl)fluorene-2-carboxamide
CID 25467153
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 59406782
4-morpholin-4-yl-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577349

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The IUPAC name of 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide (CID 50845783) is 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is O=C(NCCCN1CCCC1)c1ccc(N2C(=O)C=C(N3CCCCC3)C2=O)cc1.
What is the InChIKey of 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
The InChIKey is JQFIFRCBJFWUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-21-17-20(26-15-2-1-3-16-26)23(30)27(21)19-9-7-18(8-10-19)22(29)24-11-6-14-25-12-4-5-13-25/h7-10,17H,1-6,11-16H2,(H,24,29).
What are the key properties of 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide?
4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide has a molecular weight of 410.52 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide is sourced from PubChem (CID 50845783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).