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

C23H27ClN2O2 — CID 118217160

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(C3CCN(Cc4ccc(Cl)cc4)C3=O)CC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-28-21-8-4-18(5-9-21)19-10-13-25(14-11-19)22-12-15-26(23(22)27)16-17-2-6-20(24)7-3-17/h2-9,19,22H,10-16H2,1H3
InChIKeyCTUYBYVCFKZARV-UHFFFAOYSA-N
MW398.93 g/mol
LogP4.33
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118217160) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118217160
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(C3CCN(Cc4ccc(Cl)cc4)C3=O)CC2)cc1
InChIInChI=1S/C23H27ClN2O2/c1-28-21-8-4-18(5-9-21)19-10-13-25(14-11-19)22-12-15-26(23(22)27)16-17-2-6-20(24)7-3-17/h2-9,19,22H,10-16H2,1H3
InChIKeyCTUYBYVCFKZARV-UHFFFAOYSA-N
XLogP4.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118217160) is 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is COc1ccc(C2CCN(C3CCN(Cc4ccc(Cl)cc4)C3=O)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is CTUYBYVCFKZARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-28-21-8-4-18(5-9-21)19-10-13-25(14-11-19)22-12-15-26(23(22)27)16-17-2-6-20(24)7-3-17/h2-9,19,22H,10-16H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 398.93 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118217160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).