(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one

C19H27N3O2 — CID 97146765

IUPAC(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
SMILESCc1ccc(N2C[C@H](C)N(CCC(=O)N3CCCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-15-5-7-17(8-6-15)22-13-16(2)21(14-19(22)24)12-9-18(23)20-10-3-4-11-20/h5-8,16H,3-4,9-14H2,1-2H3/t16-/m0/s1
InChIKeyLRBXGTLRIHWJOX-INIZCTEOSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds4

About (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one

(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one (PubChem CID 97146765) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one.

Molecular Properties

Compound Name(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
PubChem CID97146765
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
SMILESCc1ccc(N2C[C@H](C)N(CCC(=O)N3CCCC3)CC2=O)cc1
InChIInChI=1S/C19H27N3O2/c1-15-5-7-17(8-6-15)22-13-16(2)21(14-19(22)24)12-9-18(23)20-10-3-4-11-20/h5-8,16H,3-4,9-14H2,1-2H3/t16-/m0/s1
InChIKeyLRBXGTLRIHWJOX-INIZCTEOSA-N
XLogP2.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
(5S)-5-methyl-1-(4-methylphenyl)-4-[4-(2-oxopiperidin-1-yl)butanoyl]piperazin-2-one
CID 96578839
5-methyl-1-(4-methylphenyl)-4-[3-(1-methylpiperidin-4-yl)propanoyl]piperazin-2-one
CID 70767280
4-(cyclopentanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70743002
5-methyl-1-(4-methylphenyl)-4-(3-methylsulfonylpropanoyl)piperazin-2-one
CID 70759970
(5S)-4-(cyclopropanecarbonyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96576154
(5S)-5-methyl-1-(4-methylphenyl)-4-(2-propylsulfanylacetyl)piperazin-2-one
CID 96580243
(5S)-4-[(2,6-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578307
(5R)-4-[2-(3-hydroxyphenyl)acetyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96580506
4-(2,2-dimethyl-3-morpholin-4-ylpropyl)-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 70787841
1-(4-methylphenyl)-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034008
5-methyl-1-(4-methylphenyl)-4-[4-(1,2,4-triazol-1-yl)butanoyl]piperazin-2-one
CID 70759783

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one?
The IUPAC name of (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one (CID 97146765) is (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one.
What is the SMILES notation for (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one?
The canonical SMILES for (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one is Cc1ccc(N2C[C@H](C)N(CCC(=O)N3CCCC3)CC2=O)cc1.
What is the InChIKey of (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one?
The InChIKey is LRBXGTLRIHWJOX-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-5-7-17(8-6-15)22-13-16(2)21(14-19(22)24)12-9-18(23)20-10-3-4-11-20/h5-8,16H,3-4,9-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one?
(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one is sourced from PubChem (CID 97146765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).