3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide

C17H27N2O+ — CID 7343528

IUPAC3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-5-4-6-16(10-13)18-17(20)7-8-19-11-14(2)9-15(3)12-19/h4-6,10,14-15H,7-9,11-12H2,1-3H3,(H,18,20)/p+1/t14-,15-/m1/s1
InChIKeyXOHVACMUFUTTHG-HUUCEWRRSA-O
MW275.42 g/mol
LogP1.88
Rot. Bonds4

About 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide

3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide (PubChem CID 7343528) has the molecular formula C17H27N2O+ and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
PubChem CID7343528
Molecular FormulaC17H27N2O+
Molecular Weight275.42 g/mol
Exact Mass275.21
IUPAC Name3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1
InChIInChI=1S/C17H26N2O/c1-13-5-4-6-16(10-13)18-17(20)7-8-19-11-14(2)9-15(3)12-19/h4-6,10,14-15H,7-9,11-12H2,1-3H3,(H,18,20)/p+1/t14-,15-/m1/s1
InChIKeyXOHVACMUFUTTHG-HUUCEWRRSA-O
XLogP1.88
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
CID 7460108
N-(4-bromophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide
CID 6941596
3-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(2-methylphenyl)propanamide
CID 4742360
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930273
2-(3,5-dimethylpiperidin-1-yl)-N-(3-methylphenyl)acetamide
CID 22198013
N-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165
3-acetamido-N-(3-methylphenyl)propanamide
CID 47097671
N-(3-methoxyphenyl)-3-(3-methylpiperidin-1-ium-1-yl)propanamide
CID 4742378
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N-(3,4-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343858
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide (CID 7343528) is 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CC[NH+]2C[C@H](C)C[C@@H](C)C2)c1.
What is the InChIKey of 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is XOHVACMUFUTTHG-HUUCEWRRSA-O. The full InChI is InChI=1S/C17H26N2O/c1-13-5-4-6-16(10-13)18-17(20)7-8-19-11-14(2)9-15(3)12-19/h4-6,10,14-15H,7-9,11-12H2,1-3H3,(H,18,20)/p+1/t14-,15-/m1/s1.
What are the key properties of 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide?
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 275.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 7343528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).