2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

C20H25N3O2 — CID 747202

IUPAC2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)20(24)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyGCTHHCZLCQZWOP-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.25
Rot. Bonds6

About 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide

2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 747202) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID747202
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)20(24)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24)
InChIKeyGCTHHCZLCQZWOP-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
5-chloro-2-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224442
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
2-hydroxy-5-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 46602004
N-[2-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-2-methoxybenzamide
CID 3888507
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 30885156
2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]furan-3-carboxamide
CID 30899733

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 747202) is 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is GCTHHCZLCQZWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)20(24)21-11-12-22-13-15-23(16-14-22)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,21,24).
What are the key properties of 2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide?
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.25, 6 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-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 747202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).