5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one

C24H36ClN3O — CID 45488779

IUPAC5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1
InChIInChI=1S/C24H36ClN3O/c25-21-8-6-20(7-9-21)18-26-15-12-22-10-11-23(29)28(22)19-24(13-2-3-14-24)27-16-4-1-5-17-27/h6-9,22,26H,1-5,10-19H2
InChIKeyQVNXDQSVSCOBNT-UHFFFAOYSA-N
MW418.03 g/mol
LogP4.61
Rot. Bonds8

About 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one

5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one (PubChem CID 45488779) has the molecular formula C24H36ClN3O and a molecular weight of 418.03 g/mol. Its IUPAC name is 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
PubChem CID45488779
Molecular FormulaC24H36ClN3O
Molecular Weight418.03 g/mol
Exact Mass417.25
IUPAC Name5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1CCC(CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1
InChIInChI=1S/C24H36ClN3O/c25-21-8-6-20(7-9-21)18-26-15-12-22-10-11-23(29)28(22)19-24(13-2-3-14-24)27-16-4-1-5-17-27/h6-9,22,26H,1-5,10-19H2
InChIKeyQVNXDQSVSCOBNT-UHFFFAOYSA-N
XLogP4.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.03
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one (CID 45488779) is 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one is O=C1CCC(CCNCc2ccc(Cl)cc2)N1CC1(N2CCCCC2)CCCC1.
What is the InChIKey of 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
The InChIKey is QVNXDQSVSCOBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN3O/c25-21-8-6-20(7-9-21)18-26-15-12-22-10-11-23(29)28(22)19-24(13-2-3-14-24)27-16-4-1-5-17-27/h6-9,22,26H,1-5,10-19H2.
What are the key properties of 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one?
5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one has a molecular weight of 418.03 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(4-chlorophenyl)methylamino]ethyl]-1-[(1-piperidin-1-ylcyclopentyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 45488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).