3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide

C23H29N3O2 — CID 8539004

IUPAC3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-2-24-23(28)20-9-6-10-21(16-20)25-22(27)17-26-13-11-19(12-14-26)15-18-7-4-3-5-8-18/h3-10,16,19H,2,11-15,17H2,1H3,(H,24,28)(H,25,27)
InChIKeySPYPEHBGVXPRBG-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.33
Rot. Bonds7

About 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide

3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 8539004) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID8539004
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-2-24-23(28)20-9-6-10-21(16-20)25-22(27)17-26-13-11-19(12-14-26)15-18-7-4-3-5-8-18/h3-10,16,19H,2,11-15,17H2,1H3,(H,24,28)(H,25,27)
InChIKeySPYPEHBGVXPRBG-UHFFFAOYSA-N
XLogP3.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539003
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
2-(4-benzylpiperidin-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8904565
N-(cyclopropylmethyl)-1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]piperidine-3-carboxamide
CID 60512579
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
3-[[2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl]acetyl]amino]-N-ethylbenzamide
CID 166256523
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide (CID 8539004) is 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is SPYPEHBGVXPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-24-23(28)20-9-6-10-21(16-20)25-22(27)17-26-13-11-19(12-14-26)15-18-7-4-3-5-8-18/h3-10,16,19H,2,11-15,17H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 8539004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).