methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate

C22H26N2O4 — CID 20694798

IUPACmethyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-27-19-11-7-6-10-18(19)20(25)23-16-22(17-8-4-3-5-9-17)12-14-24(15-13-22)21(26)28-2/h3-11H,12-16H2,1-2H3,(H,23,25)
InChIKeyNOMBRDOSZSOMDD-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.23
Rot. Bonds5

About methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate

methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate (PubChem CID 20694798) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
PubChem CID20694798
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Namemethyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1
InChIInChI=1S/C22H26N2O4/c1-27-19-11-7-6-10-18(19)20(25)23-16-22(17-8-4-3-5-9-17)12-14-24(15-13-22)21(26)28-2/h3-11H,12-16H2,1-2H3,(H,23,25)
InChIKeyNOMBRDOSZSOMDD-UHFFFAOYSA-N
XLogP3.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
phenyl N-cyano-4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboximidate
CID 89126629
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
N-[[1-(N'-cyclopropyl-N-methylsulfonylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600905
N-[[1-[N-cyano-N'-(2-hydroxyethyl)carbamimidoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600873
N-[[1-(1-hydroxypropan-2-ylsulfamoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 22241040
N-[[1-[[(2S)-2-hydroxypropyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 58596001
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622
tert-butyl N-[3-[[amino-[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidin-1-yl]methylidene]amino]propyl]carbamate
CID 89148824
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
2-methoxy-N-[[1-[[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]sulfamoyl]-4-phenylpiperidin-4-yl]methyl]benzamide
CID 143258720
4-benzyl-4-[[(2-methoxybenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 22240842

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate (CID 20694798) is methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate is COC(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1.
What is the InChIKey of methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate?
The InChIKey is NOMBRDOSZSOMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-19-11-7-6-10-18(19)20(25)23-16-22(17-8-4-3-5-9-17)12-14-24(15-13-22)21(26)28-2/h3-11H,12-16H2,1-2H3,(H,23,25).
What are the key properties of methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate?
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 20694798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).