N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide

C19H25N2O+ — CID 7409695

IUPACN-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc2ccccc2c1NC(=O)C[NH+]1CCC[C@H](C)C1
InChIInChI=1S/C19H24N2O/c1-14-6-5-11-21(12-14)13-18(22)20-19-15(2)9-10-16-7-3-4-8-17(16)19/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyOPROEDYFLGAFMN-AWEZNQCLSA-O
MW297.42 g/mol
LogP2.40
Rot. Bonds3

About N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide

N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 7409695) has the molecular formula C19H25N2O+ and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID7409695
Molecular FormulaC19H25N2O+
Molecular Weight297.42 g/mol
Exact Mass297.20
IUPAC NameN-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc2ccccc2c1NC(=O)C[NH+]1CCC[C@H](C)C1
InChIInChI=1S/C19H24N2O/c1-14-6-5-11-21(12-14)13-18(22)20-19-15(2)9-10-16-7-3-4-8-17(16)19/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1
InChIKeyOPROEDYFLGAFMN-AWEZNQCLSA-O
XLogP2.40
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
N-(2-methyl-6-nitrophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903623
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903337
N-(4-acetamidophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903579
N-(2-methylnaphthalen-1-yl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 856171
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6941185
N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7436741
methyl 6-methyl-3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate
CID 7587452
N-[(2-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903455
N-(2-methyl-4-nitrophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409447
1-(1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7358174

Frequently Asked Questions

What is the IUPAC name of N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide (CID 7409695) is N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is Cc1ccc2ccccc2c1NC(=O)C[NH+]1CCC[C@H](C)C1.
What is the InChIKey of N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is OPROEDYFLGAFMN-AWEZNQCLSA-O. The full InChI is InChI=1S/C19H24N2O/c1-14-6-5-11-21(12-14)13-18(22)20-19-15(2)9-10-16-7-3-4-8-17(16)19/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,20,22)/p+1/t14-/m0/s1.
What are the key properties of N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide?
N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 297.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7409695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).