(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

C22H32N2O — CID 44565158

IUPAC(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(C2CCCC2)cc1
InChIInChI=1S/C22H32N2O/c1-23-21(15-20(22(23)25)16-24-13-5-2-6-14-24)19-11-9-18(10-12-19)17-7-3-4-8-17/h9-12,17,20-21H,2-8,13-16H2,1H3/t20-,21+/m1/s1
InChIKeyAONWVFVOUGKEOC-RTWAWAEBSA-N
MW340.51 g/mol
LogP4.35
Rot. Bonds4

About (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (PubChem CID 44565158) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
PubChem CID44565158
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
SMILESCN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(C2CCCC2)cc1
InChIInChI=1S/C22H32N2O/c1-23-21(15-20(22(23)25)16-24-13-5-2-6-14-24)19-11-9-18(10-12-19)17-7-3-4-8-17/h9-12,17,20-21H,2-8,13-16H2,1H3/t20-,21+/m1/s1
InChIKeyAONWVFVOUGKEOC-RTWAWAEBSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one (CID 44565158) is (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1ccc(C2CCCC2)cc1.
What is the InChIKey of (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is AONWVFVOUGKEOC-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H32N2O/c1-23-21(15-20(22(23)25)16-24-13-5-2-6-14-24)19-11-9-18(10-12-19)17-7-3-4-8-17/h9-12,17,20-21H,2-8,13-16H2,1H3/t20-,21+/m1/s1.
What are the key properties of (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one?
(3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 340.51 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-(4-cyclopentylphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 44565158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).