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

C15H21N3O2 — CID 22197772

IUPAC2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCC1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1
InChIInChI=1S/C15H21N3O2/c1-11-5-4-8-18(9-11)10-14(19)17-13-7-3-2-6-12(13)15(16)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,20)(H,17,19)
InChIKeyXTJKDSRJOIIOJX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.46
Rot. Bonds4

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

2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide (PubChem CID 22197772) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
PubChem CID22197772
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
SMILESCC1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1
InChIInChI=1S/C15H21N3O2/c1-11-5-4-8-18(9-11)10-14(19)17-13-7-3-2-6-12(13)15(16)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,20)(H,17,19)
InChIKeyXTJKDSRJOIIOJX-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

N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
2-[[2-(3-amino-5-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 79992543
2-[[2-(3-ethylsulfanylazepan-1-yl)acetyl]amino]benzamide
CID 56788094
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682247
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 51170643
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
(3S)-1-[2-oxo-2-[2-[[(1S)-1-phenylethyl]carbamoyl]anilino]ethyl]piperidine-3-carboxamide
CID 9304747
N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide (CID 22197772) is 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide is CC1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1.
What is the InChIKey of 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
The InChIKey is XTJKDSRJOIIOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-5-4-8-18(9-11)10-14(19)17-13-7-3-2-6-12(13)15(16)20/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide?
2-[[2-(3-methylpiperidin-1-yl)acetyl]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 2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 22197772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).