N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide

C23H31N2O+ — CID 9051562

IUPACN-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide
SMILESCC1CC[NH+](CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-19-13-17-25(18-14-19)16-8-15-24-23(26)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,24,26)/p+1
InChIKeyJNCUKZPZGPEJSL-UHFFFAOYSA-O
MW351.51 g/mol
LogP2.64
Rot. Bonds7

About N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide

N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide (PubChem CID 9051562) has the molecular formula C23H31N2O+ and a molecular weight of 351.51 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide
PubChem CID9051562
Molecular FormulaC23H31N2O+
Molecular Weight351.51 g/mol
Exact Mass351.24
IUPAC NameN-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide
SMILESCC1CC[NH+](CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H30N2O/c1-19-13-17-25(18-14-19)16-8-15-24-23(26)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,24,26)/p+1
InChIKeyJNCUKZPZGPEJSL-UHFFFAOYSA-O
XLogP2.64
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.51
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
CID 44662856
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
N-dodecyl-2,2-diphenylacetamide
CID 5143289
N-(11-oxoundecyl)-2,2-diphenylacetamide
CID 54147901
(2S)-N-carbamoyl-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
CID 8557739
(2S)-4-(4-methylpiperidin-1-ium-1-yl)-3-oxo-2-phenylbutanenitrile
CID 7389120
(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
CID 8557661
2,2-diphenyl-N-(3-sulfamoylpropyl)acetamide
CID 47067593
N-[3-(1-benzylpyrrolidin-2-yl)propyl]-2,2-diphenylacetamide
CID 167190709
N-[(2-methylcyclopentyl)methyl]-2,2-diphenylacetamide
CID 167190715
4-(azepan-1-ylsulfonyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]benzamide
CID 9051584
4-benzyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437560

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide (CID 9051562) is N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide is CC1CC[NH+](CCCNC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide?
The InChIKey is JNCUKZPZGPEJSL-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H30N2O/c1-19-13-17-25(18-14-19)16-8-15-24-23(26)22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,19,22H,8,13-18H2,1H3,(H,24,26)/p+1.
What are the key properties of N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide?
N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide has a molecular weight of 351.51 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-2,2-diphenylacetamide is sourced from PubChem (CID 9051562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).