5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide

C21H28N4O — CID 45484338

IUPAC5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESCN1CCN(CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-24-13-15-25(16-14-24)12-3-2-6-21(26)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,23,26)
InChIKeyCNDPSXABBRVWIU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.10
Rot. Bonds7

About 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide

5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide (PubChem CID 45484338) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide
PubChem CID45484338
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESCN1CCN(CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1
InChIInChI=1S/C21H28N4O/c1-24-13-15-25(16-14-24)12-3-2-6-21(26)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,23,26)
InChIKeyCNDPSXABBRVWIU-UHFFFAOYSA-N
XLogP3.10
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide (CID 45484338) is 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide is CN1CCN(CCCCC(=O)Nc2ccc(-c3cccnc3)cc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide?
The InChIKey is CNDPSXABBRVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-13-15-25(16-14-24)12-3-2-6-21(26)23-20-9-7-18(8-10-20)19-5-4-11-22-17-19/h4-5,7-11,17H,2-3,6,12-16H2,1H3,(H,23,26).
What are the key properties of 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide?
5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide has a molecular weight of 352.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-N-(4-pyridin-3-ylphenyl)pentanamide is sourced from PubChem (CID 45484338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).