N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide

C20H25N2O+ — CID 2312425

IUPACN-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1
InChIInChI=1S/C20H24N2O/c1-21-14-12-19(13-15-21)22(2)20(23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3/p+1
InChIKeyHWHSAOAEOPEIQW-UHFFFAOYSA-O
MW309.43 g/mol
LogP2.10
Rot. Bonds3

About N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide

N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide (PubChem CID 2312425) has the molecular formula C20H25N2O+ and a molecular weight of 309.43 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide
PubChem CID2312425
Molecular FormulaC20H25N2O+
Molecular Weight309.43 g/mol
Exact Mass309.20
IUPAC NameN-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1
InChIInChI=1S/C20H24N2O/c1-21-14-12-19(13-15-21)22(2)20(23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3/p+1
InChIKeyHWHSAOAEOPEIQW-UHFFFAOYSA-O
XLogP2.10
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-cyclopentyl-N-methyl-4-phenylbenzamide;4-cyclopropyl-2H-triazole
CID 154653071
N-[(3R)-3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide
CID 143430707
N-cyclopropyl-4-hydroxy-N-methylbenzamide
CID 43265196
3-(difluoromethoxy)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)benzamide
CID 7428120
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-methyl-N-(1-methylpiperidin-4-yl)-6-phenylpyridine-3-carboxamide
CID 42802995
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
1-methyl-1-(1-methylpiperidin-1-ium-4-yl)-3-phenylthiourea
CID 7386005
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24679501
4-[benzenesulfonyl(methyl)amino]-N-cyclopentyl-N-methylbenzamide
CID 99950308

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide (CID 2312425) is N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide is CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CC[NH+](C)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
The InChIKey is HWHSAOAEOPEIQW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O/c1-21-14-12-19(13-15-21)22(2)20(23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3/p+1.
What are the key properties of N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide?
N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide has a molecular weight of 309.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-1-ium-4-yl)-4-phenylbenzamide is sourced from PubChem (CID 2312425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).