5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one

C28H29ClN2O2 — CID 45176353

IUPAC5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CCC(=O)N2CCC(c3ccccc3Cl)C2)(Cc2ccc3ccccc3c2)N1
InChIInChI=1S/C28H29ClN2O2/c29-25-8-4-3-7-24(25)23-13-16-31(19-23)27(33)12-15-28(14-11-26(32)30-28)18-20-9-10-21-5-1-2-6-22(21)17-20/h1-10,17,23H,11-16,18-19H2,(H,30,32)
InChIKeyHBDZBIGSJKGNGH-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.48
Rot. Bonds6

About 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one

5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 45176353) has the molecular formula C28H29ClN2O2 and a molecular weight of 461.01 g/mol. Its IUPAC name is 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
PubChem CID45176353
Molecular FormulaC28H29ClN2O2
Molecular Weight461.01 g/mol
Exact Mass460.19
IUPAC Name5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
SMILESO=C1CCC(CCC(=O)N2CCC(c3ccccc3Cl)C2)(Cc2ccc3ccccc3c2)N1
InChIInChI=1S/C28H29ClN2O2/c29-25-8-4-3-7-24(25)23-13-16-31(19-23)27(33)12-15-28(14-11-26(32)30-28)18-20-9-10-21-5-1-2-6-22(21)17-20/h1-10,17,23H,11-16,18-19H2,(H,30,32)
InChIKeyHBDZBIGSJKGNGH-UHFFFAOYSA-N
XLogP5.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-[3-[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 42406236
(5S)-5-[3-[(3S)-3-methoxypiperidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42372930
(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-[3-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42369963
(5S)-5-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one
CID 42539619
3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 42346776
(5R)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42434770
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-oxo-3-[(3S)-3-(3-phenylpropanoyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 25306534
(5S)-5-[3-[(3S)-3-benzoylpiperidin-1-yl]-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 42238090
5-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]-5-benzylpyrrolidin-2-one
CID 45188730
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42212296
(5S)-5-[(4-chlorophenyl)methyl]-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42449550

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one (CID 45176353) is 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one is O=C1CCC(CCC(=O)N2CCC(c3ccccc3Cl)C2)(Cc2ccc3ccccc3c2)N1.
What is the InChIKey of 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is HBDZBIGSJKGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN2O2/c29-25-8-4-3-7-24(25)23-13-16-31(19-23)27(33)12-15-28(14-11-26(32)30-28)18-20-9-10-21-5-1-2-6-22(21)17-20/h1-10,17,23H,11-16,18-19H2,(H,30,32).
What are the key properties of 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one?
5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 461.01 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(2-chlorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-5-(naphthalen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 45176353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).