methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate

C23H28N2O4 — CID 60533855

IUPACmethyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-21-9-5-4-8-19(21)20(25-14-6-3-7-15-25)16-24-22(26)17-10-12-18(13-11-17)23(27)29-2/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,24,26)
InChIKeySTRZUEHQPSWSQW-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.44
Rot. Bonds7

About methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate

methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate (PubChem CID 60533855) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
PubChem CID60533855
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Namemethyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-21-9-5-4-8-19(21)20(25-14-6-3-7-15-25)16-24-22(26)17-10-12-18(13-11-17)23(27)29-2/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,24,26)
InChIKeySTRZUEHQPSWSQW-UHFFFAOYSA-N
XLogP3.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate with MolForge

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Related Compounds

3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55950109
4-(difluoromethylsulfonyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 60533875
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
2-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-5-methylbenzamide
CID 55887390

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate (CID 60533855) is methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCC(c2ccccc2OC)N2CCCCC2)cc1.
What is the InChIKey of methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate?
The InChIKey is STRZUEHQPSWSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-21-9-5-4-8-19(21)20(25-14-6-3-7-15-25)16-24-22(26)17-10-12-18(13-11-17)23(27)29-2/h4-5,8-13,20H,3,6-7,14-16H2,1-2H3,(H,24,26).
What are the key properties of methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate?
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate has a molecular weight of 396.49 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate is sourced from PubChem (CID 60533855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).