4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

C22H29N3O2 — CID 38448613

IUPAC4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-18-19-8-10-20(11-9-19)22(26)23-12-5-13-24-14-16-25(17-15-24)21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKeyKHTQHSBRWPSFTJ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.78
Rot. Bonds8

About 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide

4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 38448613) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID38448613
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOCc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-27-18-19-8-10-20(11-9-19)22(26)23-12-5-13-24-14-16-25(17-15-24)21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,23,26)
InChIKeyKHTQHSBRWPSFTJ-UHFFFAOYSA-N
XLogP2.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.78
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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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
4-cyano-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224510
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
3,4,5-triethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224516
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
3-(dimethylsulfamoyl)-4-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55638847

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 38448613) is 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is COCc1ccc(C(=O)NCCCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is KHTQHSBRWPSFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-18-19-8-10-20(11-9-19)22(26)23-12-5-13-24-14-16-25(17-15-24)21-6-3-2-4-7-21/h2-4,6-11H,5,12-18H2,1H3,(H,23,26).
What are the key properties of 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide?
4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 38448613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).