4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C23H32N4O — CID 47086005

IUPAC4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCCCN(C)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-3-14-25(2)21-11-9-20(10-12-21)23(28)24-13-15-26-16-18-27(19-17-26)22-7-5-4-6-8-22/h4-12H,3,13-19H2,1-2H3,(H,24,28)
InChIKeyYHLJFXOESMJXBG-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.08
Rot. Bonds8

About 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 47086005) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID47086005
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCCCN(C)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N4O/c1-3-14-25(2)21-11-9-20(10-12-21)23(28)24-13-15-26-16-18-27(19-17-26)22-7-5-4-6-8-22/h4-12H,3,13-19H2,1-2H3,(H,24,28)
InChIKeyYHLJFXOESMJXBG-UHFFFAOYSA-N
XLogP3.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38810454
3,4,5-triethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 42266222
4-[methyl(propyl)amino]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119394671
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 42266252
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602275
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448613
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 47086005) is 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is CCCN(C)c1ccc(C(=O)NCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is YHLJFXOESMJXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-3-14-25(2)21-11-9-20(10-12-21)23(28)24-13-15-26-16-18-27(19-17-26)22-7-5-4-6-8-22/h4-12H,3,13-19H2,1-2H3,(H,24,28).
What are the key properties of 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 380.54 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(propyl)amino]-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 47086005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).