3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide

C25H28ClN3O3 — CID 18447636

IUPAC3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1
InChIInChI=1S/C25H28ClN3O3/c26-20-7-4-18(5-8-20)6-13-23(30)27-16-19-15-25(32)29(17-19)22-11-9-21(10-12-22)28-14-2-1-3-24(28)31/h4-5,7-12,19H,1-3,6,13-17H2,(H,27,30)
InChIKeyKVVTYNZTVAKMCW-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.96
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide

3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide (PubChem CID 18447636) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
PubChem CID18447636
Molecular FormulaC25H28ClN3O3
Molecular Weight453.97 g/mol
Exact Mass453.18
IUPAC Name3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1
InChIInChI=1S/C25H28ClN3O3/c26-20-7-4-18(5-8-20)6-13-23(30)27-16-19-15-25(32)29(17-19)22-11-9-21(10-12-22)28-14-2-1-3-24(28)31/h4-5,7-12,19H,1-3,6,13-17H2,(H,27,30)
InChIKeyKVVTYNZTVAKMCW-UHFFFAOYSA-N
XLogP3.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide with MolForge

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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
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 40805238
5-chloro-N-[[(3S)-5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 70307360
3-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 16919082
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
CID 16918778
4-chloro-1-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]benzene-1,3-dicarboxamide
CID 11225164
2-benzylsulfanyl-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 16918889
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 16918888
1-[(4-chlorophenyl)methyl]-3-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]urea
CID 40913218
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 16918920
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
3-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-1,1-diethylurea
CID 16920179

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide (CID 18447636) is 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide is O=C(CCc1ccc(Cl)cc1)NCC1CC(=O)N(c2ccc(N3CCCCC3=O)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is KVVTYNZTVAKMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O3/c26-20-7-4-18(5-8-20)6-13-23(30)27-16-19-15-25(32)29(17-19)22-11-9-21(10-12-22)28-14-2-1-3-24(28)31/h4-5,7-12,19H,1-3,6,13-17H2,(H,27,30).
What are the key properties of 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide?
3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 453.97 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[5-oxo-1-[4-(2-oxopiperidin-1-yl)phenyl]pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 18447636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).