1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

C24H28N2O3 — CID 99811441

IUPAC1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-18-16-25(15-13-22(18)19-6-3-2-4-7-19)24(28)17-29-21-11-9-20(10-12-21)26-14-5-8-23(26)27/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3/t18-,22+/m1/s1
InChIKeyJZQGLJAFHMHRJO-GCJKJVERSA-N
MW392.50 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 99811441) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID99811441
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESC[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-18-16-25(15-13-22(18)19-6-3-2-4-7-19)24(28)17-29-21-11-9-20(10-12-21)26-14-5-8-23(26)27/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3/t18-,22+/m1/s1
InChIKeyJZQGLJAFHMHRJO-GCJKJVERSA-N
XLogP3.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 99811441) is 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is C[C@@H]1CN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is JZQGLJAFHMHRJO-GCJKJVERSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-18-16-25(15-13-22(18)19-6-3-2-4-7-19)24(28)17-29-21-11-9-20(10-12-21)26-14-5-8-23(26)27/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3/t18-,22+/m1/s1.
What are the key properties of 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3S,4S)-3-methyl-4-phenylpiperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 99811441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).