1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone

C17H20N2O — CID 61297397

IUPAC1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
SMILESNC1CCCN(C(=O)Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O/c18-16-6-3-9-19(12-16)17(20)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12,18H2
InChIKeyVGEWGBLHLHVTNT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.33
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone

1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone (PubChem CID 61297397) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
PubChem CID61297397
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
SMILESNC1CCCN(C(=O)Cc2ccc3ccccc3c2)C1
InChIInChI=1S/C17H20N2O/c18-16-6-3-9-19(12-16)17(20)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12,18H2
InChIKeyVGEWGBLHLHVTNT-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(bromomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 80659130
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-bromo-3-fluorophenyl)ethanone
CID 176515881
1-(3-aminopiperidin-1-yl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 115277195
4-methyl-N-[[(3S)-1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 52522304

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone (CID 61297397) is 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone is NC1CCCN(C(=O)Cc2ccc3ccccc3c2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone?
The InChIKey is VGEWGBLHLHVTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c18-16-6-3-9-19(12-16)17(20)11-13-7-8-14-4-1-2-5-15(14)10-13/h1-2,4-5,7-8,10,16H,3,6,9,11-12,18H2.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone?
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 61297397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).