3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide

C22H29N3O — CID 110404024

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
SMILESCc1cccc(C(=O)NCC(Cc2ccccc2)N2CCN(C)CC2)c1
InChIInChI=1S/C22H29N3O/c1-18-7-6-10-20(15-18)22(26)23-17-21(16-19-8-4-3-5-9-19)25-13-11-24(2)12-14-25/h3-10,15,21H,11-14,16-17H2,1-2H3,(H,23,26)
InChIKeySZVXARCYTUEYHH-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.58
Rot. Bonds6

About 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide

3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide (PubChem CID 110404024) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
PubChem CID110404024
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
SMILESCc1cccc(C(=O)NCC(Cc2ccccc2)N2CCN(C)CC2)c1
InChIInChI=1S/C22H29N3O/c1-18-7-6-10-20(15-18)22(26)23-17-21(16-19-8-4-3-5-9-19)25-13-11-24(2)12-14-25/h3-10,15,21H,11-14,16-17H2,1-2H3,(H,23,26)
InChIKeySZVXARCYTUEYHH-UHFFFAOYSA-N
XLogP2.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888
2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404030
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
CID 110404076
3-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzamide
CID 45155327
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzamide
CID 112503169
3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzamide
CID 112504560
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-methylbenzamide
CID 90496187
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide (CID 110404024) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide is Cc1cccc(C(=O)NCC(Cc2ccccc2)N2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The InChIKey is SZVXARCYTUEYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-18-7-6-10-20(15-18)22(26)23-17-21(16-19-8-4-3-5-9-19)25-13-11-24(2)12-14-25/h3-10,15,21H,11-14,16-17H2,1-2H3,(H,23,26).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide has a molecular weight of 351.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide is sourced from PubChem (CID 110404024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).