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

C23H29N3O2 — CID 54816800

IUPAC4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC1CCN(CC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17-12-14-26(15-13-17)16-22(27)25-21-10-8-20(9-11-21)23(28)24-18(2)19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYMOIMFPTZMTFGX-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.85
Rot. Bonds6

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

4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 54816800) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID54816800
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCC1CCN(CC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H29N3O2/c1-17-12-14-26(15-13-17)16-22(27)25-21-10-8-20(9-11-21)23(28)24-18(2)19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyYMOIMFPTZMTFGX-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

3-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54817049
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668
3-[[4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 39182729
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
4-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54817498
1-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 17422445
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 30723875

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide (CID 54816800) is 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is CC1CCN(CC(=O)Nc2ccc(C(=O)NC(C)c3ccccc3)cc2)CC1.
What is the InChIKey of 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is YMOIMFPTZMTFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-12-14-26(15-13-17)16-22(27)25-21-10-8-20(9-11-21)23(28)24-18(2)19-6-4-3-5-7-19/h3-11,17-18H,12-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide?
4-[[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 4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 54816800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).