1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one

C24H29ClN2O2 — CID 118217166

IUPAC1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(C3CCN(Cc4ccc(C)c(Cl)c4)C3=O)CC2)cc1
InChIInChI=1S/C24H29ClN2O2/c1-17-3-4-18(15-22(17)25)16-27-14-11-23(24(27)28)26-12-9-20(10-13-26)19-5-7-21(29-2)8-6-19/h3-8,15,20,23H,9-14,16H2,1-2H3
InChIKeyPJZGIXVTEBNBNN-UHFFFAOYSA-N
MW412.96 g/mol
LogP4.64
Rot. Bonds5

About 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one

1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118217166) has the molecular formula C24H29ClN2O2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118217166
Molecular FormulaC24H29ClN2O2
Molecular Weight412.96 g/mol
Exact Mass412.19
IUPAC Name1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(C3CCN(Cc4ccc(C)c(Cl)c4)C3=O)CC2)cc1
InChIInChI=1S/C24H29ClN2O2/c1-17-3-4-18(15-22(17)25)16-27-14-11-23(24(27)28)26-12-9-20(10-13-26)19-5-7-21(29-2)8-6-19/h3-8,15,20,23H,9-14,16H2,1-2H3
InChIKeyPJZGIXVTEBNBNN-UHFFFAOYSA-N
XLogP4.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217160
1-[(3,4-difluorophenyl)methyl]-3-[3-(4-methoxyphenyl)azetidin-1-yl]pyrrolidin-2-one
CID 118217170
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 136583669
ethane;1-[(3-fluoro-4-methylphenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 144885855
[4-[1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperidin-4-yl]phenyl] 2-aminoacetate
CID 144885972
2-[3-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoazepan-1-yl]acetic acid
CID 167750028
(4R)-2-[(4-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperidin-1-yl]-1,2-oxazolidin-3-one
CID 129031169
[4-[1-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperidin-4-yl]phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 123772490
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154
(3S)-3-[3-(4-hydroxyphenyl)azetidin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207585
1-benzyl-3-[4-(4-hydroxy-2-methylphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118207458
1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71687072

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118217166) is 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is COc1ccc(C2CCN(C3CCN(Cc4ccc(C)c(Cl)c4)C3=O)CC2)cc1.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is PJZGIXVTEBNBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O2/c1-17-3-4-18(15-22(17)25)16-27-14-11-23(24(27)28)26-12-9-20(10-13-26)19-5-7-21(29-2)8-6-19/h3-8,15,20,23H,9-14,16H2,1-2H3.
What are the key properties of 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 412.96 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118217166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).