5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide

C22H29N3O — CID 118735725

IUPAC5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
SMILESCN1CCN(CCCCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-6-5-9-22(26)23-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3,(H,23,26)
InChIKeyWJPYNHYUEXNFHO-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.71
Rot. Bonds7

About 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide

5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide (PubChem CID 118735725) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
PubChem CID118735725
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide
SMILESCN1CCN(CCCCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-6-5-9-22(26)23-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3,(H,23,26)
InChIKeyWJPYNHYUEXNFHO-UHFFFAOYSA-N
XLogP3.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.71
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-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302
4-bromo-N-(4-phenylphenyl)butanamide
CID 45379211
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445
N-[4-(3-acetamidophenyl)phenyl]-5-(4-acetyl-1,4-diazepan-1-yl)pentanamide
CID 59840247
4-hydroxy-N-(4-phenylphenyl)butanamide
CID 79192454
5-piperidin-1-yl-N-(4-thiophen-2-ylphenyl)pentanamide
CID 59840354
3-(4-methylpiperazin-1-yl)-N-(4-phenylmethoxyphenyl)propanamide
CID 574794
5-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)phenyl]pentanamide
CID 59840403
3-[4-(2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-N-(4-phenylphenyl)propanamide
CID 15312802
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide (CID 118735725) is 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide is CN1CCN(CCCCC(=O)Nc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide?
The InChIKey is WJPYNHYUEXNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-24-15-17-25(18-16-24)14-6-5-9-22(26)23-21-12-10-20(11-13-21)19-7-3-2-4-8-19/h2-4,7-8,10-13H,5-6,9,14-18H2,1H3,(H,23,26).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide?
5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide has a molecular weight of 351.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 118735725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).