N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide

C25H33N5O — CID 20877658

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide
SMILESCN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C25H33N5O/c1-28-17-19-29(20-18-28)15-8-14-26-24(31)13-7-16-30-23-12-6-5-11-22(23)25(27-30)21-9-3-2-4-10-21/h2-6,9-12H,7-8,13-20H2,1H3,(H,26,31)
InChIKeyKJDXCXLDTQXQSX-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.24
Rot. Bonds9

About N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide

N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide (PubChem CID 20877658) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide
PubChem CID20877658
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide
SMILESCN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C25H33N5O/c1-28-17-19-29(20-18-28)15-8-14-26-24(31)13-7-16-30-23-12-6-5-11-22(23)25(27-30)21-9-3-2-4-10-21/h2-6,9-12H,7-8,13-20H2,1H3,(H,26,31)
InChIKeyKJDXCXLDTQXQSX-UHFFFAOYSA-N
XLogP3.24
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide (CID 20877658) is N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide is CN1CCN(CCCNC(=O)CCCn2nc(-c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide?
The InChIKey is KJDXCXLDTQXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-28-17-19-29(20-18-28)15-8-14-26-24(31)13-7-16-30-23-12-6-5-11-22(23)25(27-30)21-9-3-2-4-10-21/h2-6,9-12H,7-8,13-20H2,1H3,(H,26,31).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide has a molecular weight of 419.57 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-4-(3-phenylindazol-1-yl)butanamide is sourced from PubChem (CID 20877658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).