methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate

C26H28N4O4 — CID 177253140

IUPACmethyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate
SMILESCCNC(=O)Nc1ccc(C(=O)OC)cc1N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H28N4O4/c1-3-27-26(33)28-22-12-11-19(25(32)34-2)17-23(22)29-13-15-30(16-14-29)24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,3,13-16H2,1-2H3,(H2,27,28,33)
InChIKeyDXQGMSVVFWWUKK-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.73
Rot. Bonds5

About methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate

methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate (PubChem CID 177253140) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate
PubChem CID177253140
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Namemethyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate
SMILESCCNC(=O)Nc1ccc(C(=O)OC)cc1N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H28N4O4/c1-3-27-26(33)28-22-12-11-19(25(32)34-2)17-23(22)29-13-15-30(16-14-29)24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,3,13-16H2,1-2H3,(H2,27,28,33)
InChIKeyDXQGMSVVFWWUKK-UHFFFAOYSA-N
XLogP3.73
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(ethylcarbamoylamino)-3-(4-fluoropiperidin-1-yl)benzoate
CID 177253137
1-ethyl-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056881
methyl 5-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-nitrobenzoate
CID 36726166
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 3-(4-acetylpiperazin-1-yl)-4-aminobenzoate
CID 82785791
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
methyl 4-(4-benzoylpiperazin-1-yl)-3-[(4-bromo-3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 17091850
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
dimethyl 2-(naphthalen-1-ylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108884661
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062

Frequently Asked Questions

What is the IUPAC name of methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate (CID 177253140) is methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate is CCNC(=O)Nc1ccc(C(=O)OC)cc1N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate?
The InChIKey is DXQGMSVVFWWUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-3-27-26(33)28-22-12-11-19(25(32)34-2)17-23(22)29-13-15-30(16-14-29)24(31)21-10-6-8-18-7-4-5-9-20(18)21/h4-12,17H,3,13-16H2,1-2H3,(H2,27,28,33).
What are the key properties of methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate?
methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate has a molecular weight of 460.53 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 177253140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).