3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide

C16H25N2O+ — CID 7460108

IUPAC3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
SMILESC[C@@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-13-10-14(2)12-18(11-13)9-8-16(19)17-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)/p+1/t13-,14+
InChIKeyCFMUYKXNSHGRPL-OKILXGFUSA-O
MW261.39 g/mol
LogP1.58
Rot. Bonds4

About 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide

3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide (PubChem CID 7460108) has the molecular formula C16H25N2O+ and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
PubChem CID7460108
Molecular FormulaC16H25N2O+
Molecular Weight261.39 g/mol
Exact Mass261.20
IUPAC Name3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide
SMILESC[C@@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2)C1
InChIInChI=1S/C16H24N2O/c1-13-10-14(2)12-18(11-13)9-8-16(19)17-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)/p+1/t13-,14+
InChIKeyCFMUYKXNSHGRPL-OKILXGFUSA-O
XLogP1.58
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromophenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide
CID 6941596
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 7343528
3-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(2-methylphenyl)propanamide
CID 4742360
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7334329
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
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(4-methylphenyl)-3-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7334604
N'-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]benzohydrazide
CID 8904662
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930273
N-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide?
The IUPAC name of 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide (CID 7460108) is 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide is C[C@@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide?
The InChIKey is CFMUYKXNSHGRPL-OKILXGFUSA-O. The full InChI is InChI=1S/C16H24N2O/c1-13-10-14(2)12-18(11-13)9-8-16(19)17-15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H,17,19)/p+1/t13-,14+.
What are the key properties of 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide?
3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide has a molecular weight of 261.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 7460108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).