methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate

C22H23FN2O4 — CID 24791206

IUPACmethyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCCC(CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O4/c1-29-22(28)19-7-3-2-6-18(19)21(27)25-12-4-5-15(14-25)13-24-20(26)16-8-10-17(23)11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,26)
InChIKeyAZIWMCUUDHSEQC-UHFFFAOYSA-N
MW398.43 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate

methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate (PubChem CID 24791206) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
PubChem CID24791206
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Namemethyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCCC(CNC(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN2O4/c1-29-22(28)19-7-3-2-6-18(19)21(27)25-12-4-5-15(14-25)13-24-20(26)16-8-10-17(23)11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,26)
InChIKeyAZIWMCUUDHSEQC-UHFFFAOYSA-N
XLogP2.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]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

2-({[1-(Ethoxycarbonyl)-4-piperidinyl]amino}carbonyl)benzoic acid
CID 2812260
2-{[(4-Fluorobenzyl)amino]carbonyl}benzoic acid
CID 3240677
[2''-(3-Methyl-butylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 9932430
2-{4-[(3-Adamantan-1-yl-ureido)-methyl]-piperidine-1-carbonyl}-benzoic acid methyl ester
CID 44416831
2-[4-(3-Adamantan-1-yl-ureido)-piperidine-1-carbonyl]-benzoic acid methyl ester
CID 44416886
methyl 2-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidine-1-carbonyl]benzoate
CID 489818
Dimethyl 2,2'-(1,7-dioxa-4,10-diazacyclododecane-4,10-dicarbonyl)dibenzoate
CID 1121702
[2-Oxo-2-(propylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 2510258
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 4875512
Methyl 2-[4-[[[1-(3,3,3-trifluoropropanoylamino)cyclohexanecarbonyl]amino]methyl]phenyl]benzoate
CID 11670114
[2-(3,4-Difluorophenyl)-2-oxoethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 25162229
Methyl 2-[[2-(methylamino)-2-oxo-1-phenylethyl]carbamoyl]benzoate
CID 44531037

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate (CID 24791206) is methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate is COC(=O)c1ccccc1C(=O)N1CCCC(CNC(=O)c2ccc(F)cc2)C1.
What is the InChIKey of methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate?
The InChIKey is AZIWMCUUDHSEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-29-22(28)19-7-3-2-6-18(19)21(27)25-12-4-5-15(14-25)13-24-20(26)16-8-10-17(23)11-9-16/h2-3,6-11,15H,4-5,12-14H2,1H3,(H,24,26).
What are the key properties of methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate?
methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate has a molecular weight of 398.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[(4-fluorobenzoyl)amino]methyl]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 24791206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).