3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide

C23H29N3O2 — CID 54817049

IUPAC3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC1CCN(CC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)CC1
InChIInChI=1S/C23H29N3O2/c1-17-11-13-26(14-12-17)16-22(27)25-21-10-6-9-20(15-21)23(28)24-18(2)19-7-4-3-5-8-19/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIQSLTYVAQNWUNJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds6

About 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide

3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54817049) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54817049
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC1CCN(CC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)CC1
InChIInChI=1S/C23H29N3O2/c1-17-11-13-26(14-12-17)16-22(27)25-21-10-6-9-20(15-21)23(28)24-18(2)19-7-4-3-5-8-19/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyIQSLTYVAQNWUNJ-UHFFFAOYSA-N
XLogP3.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54816800
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
3-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)benzamide
CID 43877736
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
3-[[2-[3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842054
N-(1-phenylethyl)-3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843624

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54817049) is 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is CC1CCN(CC(=O)Nc2cccc(C(=O)NC(C)c3ccccc3)c2)CC1.
What is the InChIKey of 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is IQSLTYVAQNWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-11-13-26(14-12-17)16-22(27)25-21-10-6-9-20(15-21)23(28)24-18(2)19-7-4-3-5-8-19/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54817049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).