N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide

C21H27N2O+ — CID 6935587

IUPACN-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccccc2)CC[NH+](C)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C21H26N2O/c1-16-20(18-10-6-4-7-11-18)23(3)15-14-21(16,22-17(2)24)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3,(H,22,24)/p+1/t16-,20+,21+/m0/s1
InChIKeyLTMCHGVWSAGBIT-ZLGUVYLKSA-O
MW323.46 g/mol
LogP2.31
Rot. Bonds3

About N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide

N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide (PubChem CID 6935587) has the molecular formula C21H27N2O+ and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide
PubChem CID6935587
Molecular FormulaC21H27N2O+
Molecular Weight323.46 g/mol
Exact Mass323.21
IUPAC NameN-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide
SMILESCC(=O)N[C@]1(c2ccccc2)CC[NH+](C)[C@@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C21H26N2O/c1-16-20(18-10-6-4-7-11-18)23(3)15-14-21(16,22-17(2)24)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3,(H,22,24)/p+1/t16-,20+,21+/m0/s1
InChIKeyLTMCHGVWSAGBIT-ZLGUVYLKSA-O
XLogP2.31
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide with MolForge

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Related Compounds

(2R,3R,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-ol
CID 7071803
N-[(2S,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-4-yl]acetamide
CID 7071822
4-amino-1,3-dimethyl-2-phenylpiperidin-1-ium-4-carbonitrile
CID 4979098
(5S,6R,7R)-6,8-dimethyl-7-phenyl-1,3-diaza-8-azoniaspiro[4.5]decane-2,4-dione
CID 7071831
[(2R,3S,4R)-1,2,3-trimethyl-4-phenylpiperidin-1-ium-4-yl] acetate
CID 7065841
[1-(4-acetamidophenyl)-2-phenylcyclopropyl]carbamic acid
CID 90204150
N-(3,4,5-triphenylpyrazol-4-yl)acetamide
CID 10665770
N-(1-tert-butyl-4-phenylpiperidin-4-yl)acetamide
CID 20752804
cis-(1R,3R)-3-acetamido-1-phenylcyclopentane-1-carboxylic acid
CID 815452
methyl (1S,2R,3R)-2-methyl-1,3-diphenylcyclopropane-1-carboxylate
CID 102081874
1-[(1R,2R,5S)-2-phenyl-2-bicyclo[3.1.0]hexanyl]-3-[(1S)-1-phenylethyl]urea
CID 10381354
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide (CID 6935587) is N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide is CC(=O)N[C@]1(c2ccccc2)CC[NH+](C)[C@@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide?
The InChIKey is LTMCHGVWSAGBIT-ZLGUVYLKSA-O. The full InChI is InChI=1S/C21H26N2O/c1-16-20(18-10-6-4-7-11-18)23(3)15-14-21(16,22-17(2)24)19-12-8-5-9-13-19/h4-13,16,20H,14-15H2,1-3H3,(H,22,24)/p+1/t16-,20+,21+/m0/s1.
What are the key properties of N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide?
N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R)-1,3-dimethyl-2,4-diphenylpiperidin-1-ium-4-yl]acetamide is sourced from PubChem (CID 6935587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).