methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate

C24H30N2O4 — CID 43924414

IUPACmethyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
SMILESCCOc1cccc(CN2CCC(C(=O)Nc3cccc(C(=O)OC)c3C)CC2)c1
InChIInChI=1S/C24H30N2O4/c1-4-30-20-8-5-7-18(15-20)16-26-13-11-19(12-14-26)23(27)25-22-10-6-9-21(17(22)2)24(28)29-3/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,27)
InChIKeyBUWPBTADZRCFIO-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.03
Rot. Bonds7

About methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate

methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate (PubChem CID 43924414) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
PubChem CID43924414
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
SMILESCCOc1cccc(CN2CCC(C(=O)Nc3cccc(C(=O)OC)c3C)CC2)c1
InChIInChI=1S/C24H30N2O4/c1-4-30-20-8-5-7-18(15-20)16-26-13-11-19(12-14-26)23(27)25-22-10-6-9-21(17(22)2)24(28)29-3/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,27)
InChIKeyBUWPBTADZRCFIO-UHFFFAOYSA-N
XLogP4.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate 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-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-[(3-ethoxyphenyl)methyl]-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43923335
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
CID 50875352
N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
methyl 4,5-dimethoxy-2-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45012095
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38098399
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate?
The IUPAC name of methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate (CID 43924414) is methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate.
What is the SMILES notation for methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate?
The canonical SMILES for methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate is CCOc1cccc(CN2CCC(C(=O)Nc3cccc(C(=O)OC)c3C)CC2)c1.
What is the InChIKey of methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate?
The InChIKey is BUWPBTADZRCFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-30-20-8-5-7-18(15-20)16-26-13-11-19(12-14-26)23(27)25-22-10-6-9-21(17(22)2)24(28)29-3/h5-10,15,19H,4,11-14,16H2,1-3H3,(H,25,27).
What are the key properties of methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate?
methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate has a molecular weight of 410.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate is sourced from PubChem (CID 43924414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).