4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

C23H29N3O3 — CID 9105801

IUPAC4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-9-7-20(8-10-21)23(28)24-16-22(27)26-13-11-25(12-14-26)17-19-6-4-5-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,28)
InChIKeyIICWNWMQIBWUCG-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.47
Rot. Bonds7

About 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 9105801) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID9105801
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-3-29-21-9-7-20(8-10-21)23(28)24-16-22(27)26-13-11-25(12-14-26)17-19-6-4-5-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,28)
InChIKeyIICWNWMQIBWUCG-UHFFFAOYSA-N
XLogP2.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 27999707
4-ethoxy-N-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 27756575
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325261
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 27671405
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
N-[(4-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46774651
N-[2-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9163541
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
4-butoxy-N-[2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 30953662

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide (CID 9105801) is 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is IICWNWMQIBWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-29-21-9-7-20(8-10-21)23(28)24-16-22(27)26-13-11-25(12-14-26)17-19-6-4-5-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,28).
What are the key properties of 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 9105801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).