3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

C22H29N3O — CID 42224470

IUPAC3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESO=C(CCc1ccccc1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c26-22(13-12-20-8-3-1-4-9-20)23-14-7-15-24-16-18-25(19-17-24)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,23,26)
InChIKeyGXVCCKBDVVYMBC-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.95
Rot. Bonds8

About 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide

3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (PubChem CID 42224470) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
PubChem CID42224470
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
SMILESO=C(CCc1ccccc1)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H29N3O/c26-22(13-12-20-8-3-1-4-9-20)23-14-7-15-24-16-18-25(19-17-24)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,23,26)
InChIKeyGXVCCKBDVVYMBC-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 42224410
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 39985544
3-(4-morpholin-4-ylsulfonylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]propanamide
CID 55635058
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46602126
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(4-methoxyphenyl)propanamide
CID 42224826
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
3,3-diphenyl-N-[4-(4-phenylpiperazin-1-yl)butyl]propanamide
CID 52691963
3-(3-chlorophenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662231
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide (CID 42224470) is 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is O=C(CCc1ccccc1)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
The InChIKey is GXVCCKBDVVYMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22(13-12-20-8-3-1-4-9-20)23-14-7-15-24-16-18-25(19-17-24)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2,(H,23,26).
What are the key properties of 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide?
3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide has a molecular weight of 351.49 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 42224470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).