(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one

C20H23N3O2 — CID 96577675

IUPAC(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
SMILESCc1cccc(N2C[C@@H](C)N(C(=O)CCc3cccnc3)CC2=O)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-7-18(11-15)23-13-16(2)22(14-20(23)25)19(24)9-8-17-6-4-10-21-12-17/h3-7,10-12,16H,8-9,13-14H2,1-2H3/t16-/m1/s1
InChIKeyFLZHRHBKQWQKEH-MRXNPFEDSA-N
MW337.42 g/mol
LogP2.59
Rot. Bonds4

About (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one

(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one (PubChem CID 96577675) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
PubChem CID96577675
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
SMILESCc1cccc(N2C[C@@H](C)N(C(=O)CCc3cccnc3)CC2=O)c1
InChIInChI=1S/C20H23N3O2/c1-15-5-3-7-18(11-15)23-13-16(2)22(14-20(23)25)19(24)9-8-17-6-4-10-21-12-17/h3-7,10-12,16H,8-9,13-14H2,1-2H3/t16-/m1/s1
InChIKeyFLZHRHBKQWQKEH-MRXNPFEDSA-N
XLogP2.59
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one with MolForge

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Related Compounds

4-[2-(2-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 70766347
(5S)-4-[2-(3-fluoro-4-hydroxyphenyl)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96575295
(5R)-4-[2-(4-fluorophenoxy)acetyl]-5-methyl-1-(3-methylphenyl)piperazin-2-one
CID 96572357
1-[5-(aminomethyl)-2-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 114289980
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78806232
1-[2-methyl-4-(4-methylphenyl)-5-oxopiperazin-1-yl]-4-phenylbutane-1,2-dione
CID 70725997
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 70779297
1-(2-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 81478715
1-(3-chlorophenyl)-5-methyl-4-[2-(5-methylpyrazol-1-yl)acetyl]piperazin-2-one
CID 70709682
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
1-[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyridin-3-ylpropan-1-one
CID 72696638

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
The IUPAC name of (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one (CID 96577675) is (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
The canonical SMILES for (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one is Cc1cccc(N2C[C@@H](C)N(C(=O)CCc3cccnc3)CC2=O)c1.
What is the InChIKey of (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
The InChIKey is FLZHRHBKQWQKEH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15-5-3-7-18(11-15)23-13-16(2)22(14-20(23)25)19(24)9-8-17-6-4-10-21-12-17/h3-7,10-12,16H,8-9,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one?
(5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one has a molecular weight of 337.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-(3-methylphenyl)-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 96577675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).