(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one

C22H24N4O2 — CID 97110267

IUPAC(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1cccc(N2C[C@@H](C)N(Cc3ccc(-n4ccnc4)cc3)CC2=O)c1
InChIInChI=1S/C22H24N4O2/c1-17-13-26(20-4-3-5-21(12-20)28-2)22(27)15-25(17)14-18-6-8-19(9-7-18)24-11-10-23-16-24/h3-12,16-17H,13-15H2,1-2H3/t17-/m1/s1
InChIKeyPELRRXZHPREEBW-QGZVFWFLSA-N
MW376.46 g/mol
LogP3.12
Rot. Bonds5

About (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one

(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one (PubChem CID 97110267) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
PubChem CID97110267
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1cccc(N2C[C@@H](C)N(Cc3ccc(-n4ccnc4)cc3)CC2=O)c1
InChIInChI=1S/C22H24N4O2/c1-17-13-26(20-4-3-5-21(12-20)28-2)22(27)15-25(17)14-18-6-8-19(9-7-18)24-11-10-23-16-24/h3-12,16-17H,13-15H2,1-2H3/t17-/m1/s1
InChIKeyPELRRXZHPREEBW-QGZVFWFLSA-N
XLogP3.12
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96576993
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60593455
1-[[4-[(4-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167465768
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90539545
(5S)-4-butylsulfonyl-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 126446828
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
4-[[3-[(4-imidazol-1-ylphenyl)methyl-[(3-methoxyphenyl)methyl]amino]phenyl]methyl]piperazin-2-one
CID 167466139

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The IUPAC name of (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one (CID 97110267) is (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one is COc1cccc(N2C[C@@H](C)N(Cc3ccc(-n4ccnc4)cc3)CC2=O)c1.
What is the InChIKey of (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
The InChIKey is PELRRXZHPREEBW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-13-26(20-4-3-5-21(12-20)28-2)22(27)15-25(17)14-18-6-8-19(9-7-18)24-11-10-23-16-24/h3-12,16-17H,13-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one?
(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 97110267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).