2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide

C21H26N3O2+ — CID 8583080

IUPAC2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESC[C@H]1CCCC[NH+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16-9-7-8-14-24(16)15-20(25)23-19-13-6-5-12-18(19)21(26)22-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,22,26)(H,23,25)/p+1/t16-/m0/s1
InChIKeyURMOFTBHJCJGHX-INIZCTEOSA-O
MW352.46 g/mol
LogP2.33
Rot. Bonds5

About 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide

2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide (PubChem CID 8583080) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
PubChem CID8583080
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Name2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
SMILESC[C@H]1CCCC[NH+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16-9-7-8-14-24(16)15-20(25)23-19-13-6-5-12-18(19)21(26)22-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,22,26)(H,23,25)/p+1/t16-/m0/s1
InChIKeyURMOFTBHJCJGHX-INIZCTEOSA-O
XLogP2.33
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8623341
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583118
N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] cyclopentanecarboxylate
CID 8020094
N-(4-ethoxyphenyl)-4-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8583444
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
CID 11931481
2-(butanoylamino)-N-phenylbenzamide
CID 676008
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
2-(cyclobutanecarbonylamino)-N-phenylbenzamide
CID 17426180
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide (CID 8583080) is 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide is C[C@H]1CCCC[NH+]1CC(=O)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide?
The InChIKey is URMOFTBHJCJGHX-INIZCTEOSA-O. The full InChI is InChI=1S/C21H25N3O2/c1-16-9-7-8-14-24(16)15-20(25)23-19-13-6-5-12-18(19)21(26)22-17-10-3-2-4-11-17/h2-6,10-13,16H,7-9,14-15H2,1H3,(H,22,26)(H,23,25)/p+1/t16-/m0/s1.
What are the key properties of 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide?
2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 8583080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).