4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide

C15H21N3O2 — CID 47123026

IUPAC4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
SMILESCC1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-11-3-2-8-18(10-11)14(19)9-17-13-6-4-12(5-7-13)15(16)20/h4-7,11,17H,2-3,8-10H2,1H3,(H2,16,20)
InChIKeyRYALNCPXSRNSPP-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.46
Rot. Bonds4

About 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide

4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide (PubChem CID 47123026) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
PubChem CID47123026
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide
SMILESCC1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O2/c1-11-3-2-8-18(10-11)14(19)9-17-13-6-4-12(5-7-13)15(16)20/h4-7,11,17H,2-3,8-10H2,1H3,(H2,16,20)
InChIKeyRYALNCPXSRNSPP-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylpiperazin-1-yl)anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 109006563
4-[[2-oxo-2-[(3R)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]amino]benzamide
CID 95933818
2-(4-bromo-3-methylanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 109006570
4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
CID 71866711
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
1-(3-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)anilino]ethanone
CID 109006549
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355
2-[1-(2-anilinoacetyl)piperidin-3-yl]acetamide;hydrochloride
CID 119811969
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 4652070

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide?
The IUPAC name of 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide (CID 47123026) is 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide is CC1CCCN(C(=O)CNc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide?
The InChIKey is RYALNCPXSRNSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-3-2-8-18(10-11)14(19)9-17-13-6-4-12(5-7-13)15(16)20/h4-7,11,17H,2-3,8-10H2,1H3,(H2,16,20).
What are the key properties of 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide?
4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 47123026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).