1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone

C18H22N2O — CID 79873716

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
SMILESCC1CN(C(=O)Cc2ccc3ccccc3c2)CCC1N
InChIInChI=1S/C18H22N2O/c1-13-12-20(9-8-17(13)19)18(21)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17H,8-9,11-12,19H2,1H3
InChIKeyMXSZEEPIKVSUAE-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone

1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone (PubChem CID 79873716) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
PubChem CID79873716
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
SMILESCC1CN(C(=O)Cc2ccc3ccccc3c2)CCC1N
InChIInChI=1S/C18H22N2O/c1-13-12-20(9-8-17(13)19)18(21)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17H,8-9,11-12,19H2,1H3
InChIKeyMXSZEEPIKVSUAE-UHFFFAOYSA-N
XLogP2.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
1-(2-naphthalen-2-ylacetyl)pyrrolidine-3-sulfonamide
CID 154738536
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone (CID 79873716) is 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone is CC1CN(C(=O)Cc2ccc3ccccc3c2)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone?
The InChIKey is MXSZEEPIKVSUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-12-20(9-8-17(13)19)18(21)11-14-6-7-15-4-2-3-5-16(15)10-14/h2-7,10,13,17H,8-9,11-12,19H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone?
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone has a molecular weight of 282.39 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 79873716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).