ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate

C23H28N2O3 — CID 22198151

IUPACethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-28-23(27)20-8-10-21(11-9-20)24-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,24,26)
InChIKeyUDXAXUDEGVMMEK-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.76
Rot. Bonds7

About ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate

ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate (PubChem CID 22198151) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
PubChem CID22198151
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-2-28-23(27)20-8-10-21(11-9-20)24-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,24,26)
InChIKeyUDXAXUDEGVMMEK-UHFFFAOYSA-N
XLogP3.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
ethyl 4-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9257552
ethyl 2-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4920872
2-(4-benzylpiperidin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 40706204
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
CID 18778024
ethyl 4-[[(Z)-3-(4-benzylpiperidin-1-yl)-2-cyanoprop-2-enoyl]amino]benzoate
CID 108823940
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
ethyl 4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]benzoate
CID 171701426
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
ethyl 4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoate
CID 18083504

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate (CID 22198151) is ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate?
The InChIKey is UDXAXUDEGVMMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-28-23(27)20-8-10-21(11-9-20)24-22(26)17-25-14-12-19(13-15-25)16-18-6-4-3-5-7-18/h3-11,19H,2,12-17H2,1H3,(H,24,26).
What are the key properties of ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate?
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate has a molecular weight of 380.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 22198151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).