methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate

C22H26N2O3 — CID 27107110

IUPACmethyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-22(26)20-9-7-18(8-10-20)16-24-13-11-19(12-14-24)21(25)23-15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,25)
InChIKeyAWPYKAXAQVQPBI-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.00
Rot. Bonds6

About methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate

methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate (PubChem CID 27107110) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
PubChem CID27107110
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Namemethyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-22(26)20-9-7-18(8-10-20)16-24-13-11-19(12-14-24)21(25)23-15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,25)
InChIKeyAWPYKAXAQVQPBI-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]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

1-benzyl-N-[[4-(ethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 136579023
N-benzyl-1-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 26653391
methyl 4-[[[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]amino]methyl]benzoate
CID 46561005
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
1-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 46774277
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917834
1-benzyl-N-[(6-chloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 136579030
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
ethane;methyl 4-[[(4-aminocyclohexanecarbonyl)amino]methyl]benzoate
CID 145465923
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate (CID 27107110) is methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate?
The InChIKey is AWPYKAXAQVQPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-22(26)20-9-7-18(8-10-20)16-24-13-11-19(12-14-24)21(25)23-15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,25).
What are the key properties of methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate?
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate has a molecular weight of 366.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 27107110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).