3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide

C20H24N4O2 — CID 134376696

IUPAC3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide
SMILESNC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(NC=O)c1
InChIInChI=1S/C20H24N4O2/c21-20(26)10-9-19-14-23(17-6-2-1-3-7-17)11-12-24(19)18-8-4-5-16(13-18)22-15-25/h1-8,13,15,19H,9-12,14H2,(H2,21,26)(H,22,25)
InChIKeyXFKAAANWDDJDBZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.22
Rot. Bonds7

About 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide

3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide (PubChem CID 134376696) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide.

Molecular Properties

Compound Name3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide
PubChem CID134376696
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide
SMILESNC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(NC=O)c1
InChIInChI=1S/C20H24N4O2/c21-20(26)10-9-19-14-23(17-6-2-1-3-7-17)11-12-24(19)18-8-4-5-16(13-18)22-15-25/h1-8,13,15,19H,9-12,14H2,(H2,21,26)(H,22,25)
InChIKeyXFKAAANWDDJDBZ-UHFFFAOYSA-N
XLogP2.22
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide?
The IUPAC name of 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide (CID 134376696) is 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide.
What is the SMILES notation for 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide?
The canonical SMILES for 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide is NC(=O)CCC1CN(c2ccccc2)CCN1c1cccc(NC=O)c1.
What is the InChIKey of 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide?
The InChIKey is XFKAAANWDDJDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c21-20(26)10-9-19-14-23(17-6-2-1-3-7-17)11-12-24(19)18-8-4-5-16(13-18)22-15-25/h1-8,13,15,19H,9-12,14H2,(H2,21,26)(H,22,25).
What are the key properties of 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide?
3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide has a molecular weight of 352.44 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-formamidophenyl)-4-phenylpiperazin-2-yl]propanamide is sourced from PubChem (CID 134376696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).