4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one

C19H26N2O2 — CID 50971487

IUPAC4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)CCC3CC3)C(C)C2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-14-3-5-17(6-4-14)13-20-11-12-21(15(2)19(20)23)18(22)10-9-16-7-8-16/h3-6,15-16H,7-13H2,1-2H3
InChIKeyXYNPMPWLPYVHRW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.74
Rot. Bonds5

About 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one

4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one (PubChem CID 50971487) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
PubChem CID50971487
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
SMILESCc1ccc(CN2CCN(C(=O)CCC3CC3)C(C)C2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-14-3-5-17(6-4-14)13-20-11-12-21(15(2)19(20)23)18(22)10-9-16-7-8-16/h3-6,15-16H,7-13H2,1-2H3
InChIKeyXYNPMPWLPYVHRW-UHFFFAOYSA-N
XLogP2.74
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one (CID 50971487) is 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one is Cc1ccc(CN2CCN(C(=O)CCC3CC3)C(C)C2=O)cc1.
What is the InChIKey of 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
The InChIKey is XYNPMPWLPYVHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-3-5-17(6-4-14)13-20-11-12-21(15(2)19(20)23)18(22)10-9-16-7-8-16/h3-6,15-16H,7-13H2,1-2H3.
What are the key properties of 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one?
4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one has a molecular weight of 314.43 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 50971487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).