(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one

C21H24N2O4 — CID 96581194

IUPAC(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
SMILESCOc1ccc(N2C[C@H](C)N(C(=O)COCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-16-12-23(18-8-10-19(26-2)11-9-18)20(24)13-22(16)21(25)15-27-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1
InChIKeyNRQVFNIMGBISHC-INIZCTEOSA-N
MW368.43 g/mol
LogP2.48
Rot. Bonds6

About (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one

(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one (PubChem CID 96581194) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
PubChem CID96581194
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
SMILESCOc1ccc(N2C[C@H](C)N(C(=O)COCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-16-12-23(18-8-10-19(26-2)11-9-18)20(24)13-22(16)21(25)15-27-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1
InChIKeyNRQVFNIMGBISHC-INIZCTEOSA-N
XLogP2.48
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-4-[2-(1,3-benzodioxol-5-yloxy)acetyl]-5-methyl-1-phenylpiperazin-2-one
CID 96582385
(5S)-5-benzyl-1-[2-[(4-methoxyphenyl)methoxy]acetyl]pyrrolidin-2-one
CID 134941364
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-phenylacetamide
CID 43971002
(5S)-4-(2,5-dimethylbenzoyl)-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
CID 96579712
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
1-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]-2-phenylmethoxyethanone
CID 99876857
2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-[3-methyl-4-(2-phenylmethoxyacetyl)piperazin-1-yl]ethanone
CID 46078143
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The IUPAC name of (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one (CID 96581194) is (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one.
What is the SMILES notation for (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The canonical SMILES for (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one is COc1ccc(N2C[C@H](C)N(C(=O)COCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
The InChIKey is NRQVFNIMGBISHC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-16-12-23(18-8-10-19(26-2)11-9-18)20(24)13-22(16)21(25)15-27-14-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one?
(5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one has a molecular weight of 368.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-methoxyphenyl)-5-methyl-4-(2-phenylmethoxyacetyl)piperazin-2-one is sourced from PubChem (CID 96581194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).