4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one

C23H29N3O2 — CID 70748407

IUPAC4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
SMILESCCCCC1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CCN
InChIInChI=1S/C23H29N3O2/c1-2-3-11-21-16-25(23(28)17-26(21)22(27)13-14-24)20-12-7-10-19(15-20)18-8-5-4-6-9-18/h4-10,12,15,21H,2-3,11,13-14,16-17,24H2,1H3
InChIKeyWBXCVNRPGREHOE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.44
Rot. Bonds7

About 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one

4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one (PubChem CID 70748407) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
PubChem CID70748407
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one
SMILESCCCCC1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CCN
InChIInChI=1S/C23H29N3O2/c1-2-3-11-21-16-25(23(28)17-26(21)22(27)13-14-24)20-12-7-10-19(15-20)18-8-5-4-6-9-18/h4-10,12,15,21H,2-3,11,13-14,16-17,24H2,1H3
InChIKeyWBXCVNRPGREHOE-UHFFFAOYSA-N
XLogP3.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one (CID 70748407) is 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one is CCCCC1CN(c2cccc(-c3ccccc3)c2)C(=O)CN1C(=O)CCN.
What is the InChIKey of 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one?
The InChIKey is WBXCVNRPGREHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-3-11-21-16-25(23(28)17-26(21)22(27)13-14-24)20-12-7-10-19(15-20)18-8-5-4-6-9-18/h4-10,12,15,21H,2-3,11,13-14,16-17,24H2,1H3.
What are the key properties of 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one?
4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one has a molecular weight of 379.50 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropanoyl)-5-butyl-1-(3-phenylphenyl)piperazin-2-one is sourced from PubChem (CID 70748407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).