methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate

C19H27N3O4 — CID 23994751

IUPACmethyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccccc2C(=O)OC)C1
InChIInChI=1S/C19H27N3O4/c1-4-21(5-2)17(23)14-9-8-12-22(13-14)19(25)20-16-11-7-6-10-15(16)18(24)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,20,25)
InChIKeyFXDANJADCOKJHA-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate

methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate (PubChem CID 23994751) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
PubChem CID23994751
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Namemethyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccccc2C(=O)OC)C1
InChIInChI=1S/C19H27N3O4/c1-4-21(5-2)17(23)14-9-8-12-22(13-14)19(25)20-16-11-7-6-10-15(16)18(24)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,20,25)
InChIKeyFXDANJADCOKJHA-UHFFFAOYSA-N
XLogP2.59
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]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-[[(3R)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]-3-methylbenzoate
CID 97284330
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
methyl 2-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149471
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
methyl 2-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 25460964
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate (CID 23994751) is methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate is CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccccc2C(=O)OC)C1.
What is the InChIKey of methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate?
The InChIKey is FXDANJADCOKJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-4-21(5-2)17(23)14-9-8-12-22(13-14)19(25)20-16-11-7-6-10-15(16)18(24)26-3/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3,(H,20,25).
What are the key properties of methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate?
methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate has a molecular weight of 361.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 23994751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).