N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide

C18H23N3O3 — CID 113097993

IUPACN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide
SMILESO=C(Cc1ccccc1)C(=O)NCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H23N3O3/c22-16(12-14-4-2-1-3-5-14)18(24)19-13-17(23)21-10-8-20(9-11-21)15-6-7-15/h1-5,15H,6-13H2,(H,19,24)
InChIKeyWVTPRSRTZQAIBU-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.22
Rot. Bonds6

About N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide

N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide (PubChem CID 113097993) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide
PubChem CID113097993
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide
SMILESO=C(Cc1ccccc1)C(=O)NCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H23N3O3/c22-16(12-14-4-2-1-3-5-14)18(24)19-13-17(23)21-10-8-20(9-11-21)15-6-7-15/h1-5,15H,6-13H2,(H,19,24)
InChIKeyWVTPRSRTZQAIBU-UHFFFAOYSA-N
XLogP0.22
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide?
The IUPAC name of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide (CID 113097993) is N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide is O=C(Cc1ccccc1)C(=O)NCC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide?
The InChIKey is WVTPRSRTZQAIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(12-14-4-2-1-3-5-14)18(24)19-13-17(23)21-10-8-20(9-11-21)15-6-7-15/h1-5,15H,6-13H2,(H,19,24).
What are the key properties of N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide?
N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropylpiperazin-1-yl)-2-oxoethyl]-2-oxo-3-phenylpropanamide is sourced from PubChem (CID 113097993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).