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

C23H30N3O2+ — CID 8539003

IUPAC3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(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)/p+1
InChIKeySPYPEHBGVXPRBG-UHFFFAOYSA-O
MW380.51 g/mol
LogP1.91
Rot. Bonds7

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

3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide (PubChem CID 8539003) has the molecular formula C23H30N3O2+ and a molecular weight of 380.51 g/mol. Its IUPAC name is 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide
PubChem CID8539003
Molecular FormulaC23H30N3O2+
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(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)/p+1
InChIKeySPYPEHBGVXPRBG-UHFFFAOYSA-O
XLogP1.91
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 8538959
1-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134734
3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-N-ethylbenzamide
CID 8539004
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N-(1,3-benzodioxol-5-yl)-2-(4-benzylpiperidin-1-ium-1-yl)acetamide
CID 2697635
2-(4-benzylpiperidin-1-ium-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 7430136
3-[[2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetyl]amino]-N-ethylbenzamide
CID 8993398
3-acetamido-N-ethylbenzamide
CID 17230670
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
methyl 3-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952168
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202924

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide?
The IUPAC name of 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide (CID 8539003) is 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide?
The canonical SMILES for 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide is CCNC(=O)c1cccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide?
The InChIKey is SPYPEHBGVXPRBG-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide?
3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide has a molecular weight of 380.51 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 8539003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).