N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide

C19H30N3O2+ — CID 8623367

IUPACN,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCCC[C@H]2C)c1
InChIInChI=1S/C19H29N3O2/c1-4-21(5-2)19(24)16-10-8-11-17(13-16)20-18(23)14-22-12-7-6-9-15(22)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,23)/p+1/t15-/m1/s1
InChIKeyMTDSAVQUZJQMSQ-OAHLLOKOSA-O
MW332.47 g/mol
LogP1.56
Rot. Bonds6

About N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide

N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide (PubChem CID 8623367) has the molecular formula C19H30N3O2+ and a molecular weight of 332.47 g/mol. Its IUPAC name is N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
PubChem CID8623367
Molecular FormulaC19H30N3O2+
Molecular Weight332.47 g/mol
Exact Mass332.23
IUPAC NameN,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCCC[C@H]2C)c1
InChIInChI=1S/C19H29N3O2/c1-4-21(5-2)19(24)16-10-8-11-17(13-16)20-18(23)14-22-12-7-6-9-15(22)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,23)/p+1/t15-/m1/s1
InChIKeyMTDSAVQUZJQMSQ-OAHLLOKOSA-O
XLogP1.56
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2698019
3-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 11931977
N-[3-(diethylsulfamoyl)phenyl]-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 8583324
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-N,N-diethylbenzamide
CID 8538959
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
methyl (3R)-2-[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate
CID 8693798
N-(1,3-benzodioxol-5-yl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697951
N,N'-bis[3-(diethylcarbamoyl)phenyl]decanediamide
CID 17194651
N-(2,6-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697995
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N,N-diethyl-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8629370

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide (CID 8623367) is N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)C[NH+]2CCCC[C@H]2C)c1.
What is the InChIKey of N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
The InChIKey is MTDSAVQUZJQMSQ-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H29N3O2/c1-4-21(5-2)19(24)16-10-8-11-17(13-16)20-18(23)14-22-12-7-6-9-15(22)3/h8,10-11,13,15H,4-7,9,12,14H2,1-3H3,(H,20,23)/p+1/t15-/m1/s1.
What are the key properties of N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide?
N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide has a molecular weight of 332.47 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8623367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).