N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

C22H29N2O+ — CID 7406184

IUPACN-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H28N2O/c1-17-13-18(2)15-24(14-17)16-21(25)23-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3,(H,23,25)/p+1/t17-,18-/m0/s1
InChIKeyQWLCZUXANZYZJJ-ROUUACIJSA-O
MW337.49 g/mol
LogP2.45
Rot. Bonds5

About N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide

N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (PubChem CID 7406184) has the molecular formula C22H29N2O+ and a molecular weight of 337.49 g/mol. Its IUPAC name is N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
PubChem CID7406184
Molecular FormulaC22H29N2O+
Molecular Weight337.49 g/mol
Exact Mass337.23
IUPAC NameN-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C22H28N2O/c1-17-13-18(2)15-24(14-17)16-21(25)23-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3,(H,23,25)/p+1/t17-,18-/m0/s1
InChIKeyQWLCZUXANZYZJJ-ROUUACIJSA-O
XLogP2.45
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 8904662
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540741
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748
N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8558326
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 8930682
(2R)-4-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-oxo-2-phenylbutanenitrile
CID 2337649
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
CID 7991243
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
N-benzyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]benzamide
CID 8542721
3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
CID 7460108
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzhydrylacetamide
CID 2122058

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide (CID 7406184) is N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is C[C@H]1C[C@H](C)C[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is QWLCZUXANZYZJJ-ROUUACIJSA-O. The full InChI is InChI=1S/C22H28N2O/c1-17-13-18(2)15-24(14-17)16-21(25)23-22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,22H,13-16H2,1-2H3,(H,23,25)/p+1/t17-,18-/m0/s1.
What are the key properties of N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide?
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 337.49 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7406184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).