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

C22H29N3O2 — CID 110404030

IUPAC2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(Cc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C22H29N3O2/c1-24-12-14-25(15-13-24)19(16-18-8-4-3-5-9-18)17-23-22(26)20-10-6-7-11-21(20)27-2/h3-11,19H,12-17H2,1-2H3,(H,23,26)
InChIKeyBUGASNBUZOEINB-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.28
Rot. Bonds7

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

2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide (PubChem CID 110404030) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
PubChem CID110404030
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(Cc1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C22H29N3O2/c1-24-12-14-25(15-13-24)19(16-18-8-4-3-5-9-18)17-23-22(26)20-10-6-7-11-21(20)27-2/h3-11,19H,12-17H2,1-2H3,(H,23,26)
InChIKeyBUGASNBUZOEINB-UHFFFAOYSA-N
XLogP2.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404026
3-methyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide
CID 110404024
N-[2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985116
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
CID 110404076
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
CID 110404018
2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide
CID 110403913
2-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)benzamide
CID 110403268
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2-methoxybenzamide
CID 39669627
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
CID 110403986
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2-methoxybenzamide
CID 90496202
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide (CID 110404030) is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide is COc1ccccc1C(=O)NCC(Cc1ccccc1)N1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
The InChIKey is BUGASNBUZOEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24-12-14-25(15-13-24)19(16-18-8-4-3-5-9-18)17-23-22(26)20-10-6-7-11-21(20)27-2/h3-11,19H,12-17H2,1-2H3,(H,23,26).
What are the key properties of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide?
2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]benzamide is sourced from PubChem (CID 110404030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).