methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate

C16H23N3O3 — CID 6465197

IUPACmethyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
SMILESCCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C16H23N3O3/c1-3-19-10-8-12(9-11-19)17-16(21)18-14-7-5-4-6-13(14)15(20)22-2/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyRQOSINBYDBZFKX-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate

methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate (PubChem CID 6465197) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
PubChem CID6465197
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate
SMILESCCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1
InChIInChI=1S/C16H23N3O3/c1-3-19-10-8-12(9-11-19)17-16(21)18-14-7-5-4-6-13(14)15(20)22-2/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21)
InChIKeyRQOSINBYDBZFKX-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
methyl 2-[[2-(cyclopropylcarbamoylamino)acetyl]amino]benzoate
CID 112999833
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696
methyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetyl]amino]benzoate
CID 90085065
methyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944622
methyl 2-[(1,1-dioxothiolan-3-yl)carbamoylamino]benzoate
CID 71691549
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
1-(1-ethylpiperidin-4-yl)-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 75393640
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
methyl 2-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942633

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate?
The IUPAC name of methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate (CID 6465197) is methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate is CCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1.
What is the InChIKey of methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate?
The InChIKey is RQOSINBYDBZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-3-19-10-8-12(9-11-19)17-16(21)18-14-7-5-4-6-13(14)15(20)22-2/h4-7,12H,3,8-11H2,1-2H3,(H2,17,18,21).
What are the key properties of methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate?
methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate has a molecular weight of 305.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpiperidin-4-yl)carbamoylamino]benzoate is sourced from PubChem (CID 6465197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).