1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one

C18H25N3O2 — CID 70741232

IUPAC1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CCN3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-15-4-6-16(7-5-15)21-13-12-20(14-18(21)23)17(22)8-11-19-9-2-3-10-19/h4-7H,2-3,8-14H2,1H3
InChIKeyUQABTQUBJPLYFM-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.66
Rot. Bonds4

About 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one

1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one (PubChem CID 70741232) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
PubChem CID70741232
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)CCN3CCCC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-15-4-6-16(7-5-15)21-13-12-20(14-18(21)23)17(22)8-11-19-9-2-3-10-19/h4-7H,2-3,8-14H2,1H3
InChIKeyUQABTQUBJPLYFM-UHFFFAOYSA-N
XLogP1.66
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-ethoxypropanoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70765820
4-[2-[(3R)-3-hydroxypiperidin-1-yl]acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 96580689
1-(4-methylphenyl)-4-[(4S)-4-(4-methylpiperazin-1-yl)pentanoyl]piperazin-2-one
CID 96579737
1-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666254
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422476
1-(2-phenylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70762121
(5S)-5-methyl-1-(4-methylphenyl)-4-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazin-2-one
CID 97146765
1-(4-methylphenyl)-4-[(4R)-4-morpholin-4-ylpentanoyl]piperazin-2-one
CID 96573400
1-(4-methylphenyl)-4-(4-phenylmethoxybutanoyl)piperazin-2-one
CID 70727058
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
1-(4-methylphenyl)-4-(2-pyrazin-2-ylacetyl)piperazin-2-one
CID 70743066

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one (CID 70741232) is 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)CCN3CCCC3)CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
The InChIKey is UQABTQUBJPLYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-15-4-6-16(7-5-15)21-13-12-20(14-18(21)23)17(22)8-11-19-9-2-3-10-19/h4-7H,2-3,8-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one?
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one is sourced from PubChem (CID 70741232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).