1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one

C25H28ClN3O2 — CID 92766008

IUPAC1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H28ClN3O2/c1-18-15-22(30)23(25(31)29(18)17-19-7-4-3-5-8-19)24(20-9-6-10-21(26)16-20)28-13-11-27(2)12-14-28/h3-10,15-16,24,30H,11-14,17H2,1-2H3/t24-/m1/s1
InChIKeyUVNOXGJCTANMOV-XMMPIXPASA-N
MW437.97 g/mol
LogP3.90
Rot. Bonds5

About 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 92766008) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID92766008
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC Name1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H28ClN3O2/c1-18-15-22(30)23(25(31)29(18)17-19-7-4-3-5-8-19)24(20-9-6-10-21(26)16-20)28-13-11-27(2)12-14-28/h3-10,15-16,24,30H,11-14,17H2,1-2H3/t24-/m1/s1
InChIKeyUVNOXGJCTANMOV-XMMPIXPASA-N
XLogP3.90
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.97
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 92766008) is 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)c([C@@H](c2cccc(Cl)c2)N2CCN(C)CC2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is UVNOXGJCTANMOV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-18-15-22(30)23(25(31)29(18)17-19-7-4-3-5-8-19)24(20-9-6-10-21(26)16-20)28-13-11-27(2)12-14-28/h3-10,15-16,24,30H,11-14,17H2,1-2H3/t24-/m1/s1.
What are the key properties of 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 437.97 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(R)-(3-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 92766008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).