4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide

C24H25ClN4O4 — CID 11225164

IUPAC4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCCC4=O)cc3)C2)ccc1Cl
InChIInChI=1S/C24H25ClN4O4/c25-20-9-4-16(12-19(20)23(26)32)24(33)27-13-15-11-22(31)29(14-15)18-7-5-17(6-8-18)28-10-2-1-3-21(28)30/h4-9,12,15H,1-3,10-11,13-14H2,(H2,26,32)(H,27,33)
InChIKeyIBSJTDZZIJSEQA-UHFFFAOYSA-N
MW468.94 g/mol
LogP2.74
Rot. Bonds6

About 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide

4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide (PubChem CID 11225164) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
PubChem CID11225164
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC Name4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCCC4=O)cc3)C2)ccc1Cl
InChIInChI=1S/C24H25ClN4O4/c25-20-9-4-16(12-19(20)23(26)32)24(33)27-13-15-11-22(31)29(14-15)18-7-5-17(6-8-18)28-10-2-1-3-21(28)30/h4-9,12,15H,1-3,10-11,13-14H2,(H2,26,32)(H,27,33)
InChIKeyIBSJTDZZIJSEQA-UHFFFAOYSA-N
XLogP2.74
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 11177781
5-chloro-N-[[(3S)-5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 70307360
3-cyano-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 18447682
2-(3-carbamoylphenyl)-4-fluoro-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzamide
CID 69107525
3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
CID 18447636
2,5-dichloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918699
4-chloro-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918995
N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16919059
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 16918866
3,4-diethoxy-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918987
N-[[5-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]phenyl]pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 18448015
4-ethoxy-N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 16918523

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide (CID 11225164) is 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide is NC(=O)c1cc(C(=O)NCC2CC(=O)N(c3ccc(N4CCCCC4=O)cc3)C2)ccc1Cl.
What is the InChIKey of 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
The InChIKey is IBSJTDZZIJSEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c25-20-9-4-16(12-19(20)23(26)32)24(33)27-13-15-11-22(31)29(14-15)18-7-5-17(6-8-18)28-10-2-1-3-21(28)30/h4-9,12,15H,1-3,10-11,13-14H2,(H2,26,32)(H,27,33).
What are the key properties of 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide?
4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide has a molecular weight of 468.94 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 11225164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).