6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one

C28H33ClN2O2 — CID 143255431

IUPAC6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one
SMILESCOc1c(CN2CCC(CCc3ccccc3Cl)CC2)n(C)c(Cc2ccccc2)cc1=O
InChIInChI=1S/C28H33ClN2O2/c1-30-24(18-22-8-4-3-5-9-22)19-27(32)28(33-2)26(30)20-31-16-14-21(15-17-31)12-13-23-10-6-7-11-25(23)29/h3-11,19,21H,12-18,20H2,1-2H3
InChIKeyWXDBPMAYRWHPGC-UHFFFAOYSA-N
MW465.04 g/mol
LogP5.48
Rot. Bonds8

About 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one

6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one (PubChem CID 143255431) has the molecular formula C28H33ClN2O2 and a molecular weight of 465.04 g/mol. Its IUPAC name is 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one.

Molecular Properties

Compound Name6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one
PubChem CID143255431
Molecular FormulaC28H33ClN2O2
Molecular Weight465.04 g/mol
Exact Mass464.22
IUPAC Name6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one
SMILESCOc1c(CN2CCC(CCc3ccccc3Cl)CC2)n(C)c(Cc2ccccc2)cc1=O
InChIInChI=1S/C28H33ClN2O2/c1-30-24(18-22-8-4-3-5-9-22)19-27(32)28(33-2)26(30)20-31-16-14-21(15-17-31)12-13-23-10-6-7-11-25(23)29/h3-11,19,21H,12-18,20H2,1-2H3
InChIKeyWXDBPMAYRWHPGC-UHFFFAOYSA-N
XLogP5.48
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one with MolForge

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Related Compounds

3-benzyl-6-[[4-[(2-chloro-5-methoxyphenyl)methyl]piperidin-1-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 23029374
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CID 67782354
1-[(2-chlorophenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775353
1-chloro-2-(2-cyclohexylethyl)benzene
CID 57280256
1-[(2-chlorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 126476486
2-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-1,2-benzoxazol-3-one
CID 22068236
1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887905
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
6-[[4-[(2-chloro-5-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methyl-3-phenylpyrimidine-2,4-dione
CID 23029472
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-benzyl-4-[3-(5-methoxy-2-nitrophenyl)propyl]piperidine
CID 58181207
2-[4-[4-[2-(1-benzylpiperidin-4-yl)ethyl-methylamino]butyl-methylamino]phenyl]-7-hydroxy-8-methoxychromen-4-one
CID 171546153

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one?
The IUPAC name of 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one (CID 143255431) is 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one.
What is the SMILES notation for 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one?
The canonical SMILES for 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one is COc1c(CN2CCC(CCc3ccccc3Cl)CC2)n(C)c(Cc2ccccc2)cc1=O.
What is the InChIKey of 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one?
The InChIKey is WXDBPMAYRWHPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O2/c1-30-24(18-22-8-4-3-5-9-22)19-27(32)28(33-2)26(30)20-31-16-14-21(15-17-31)12-13-23-10-6-7-11-25(23)29/h3-11,19,21H,12-18,20H2,1-2H3.
What are the key properties of 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one?
6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one has a molecular weight of 465.04 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-[[4-[2-(2-chlorophenyl)ethyl]piperidin-1-yl]methyl]-3-methoxy-1-methylpyridin-4-one is sourced from PubChem (CID 143255431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).