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

C18H21NO — CID 2948345

IUPAC1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
SMILESCC1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C18H21NO/c1-14-6-5-11-19(13-14)18(20)12-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyXRQZRQODBILACV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.64
Rot. Bonds2

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

1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone (PubChem CID 2948345) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
PubChem CID2948345
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
SMILESCC1CCCN(C(=O)Cc2cccc3ccccc23)C1
InChIInChI=1S/C18H21NO/c1-14-6-5-11-19(13-14)18(20)12-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14H,5-6,11-13H2,1H3
InChIKeyXRQZRQODBILACV-UHFFFAOYSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
1-(3-bromo-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 102962438
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
CID 87338963
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3S)-N-(2-chlorophenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082630
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 122268077
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 119490921
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone (CID 2948345) is 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone is CC1CCCN(C(=O)Cc2cccc3ccccc23)C1.
What is the InChIKey of 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
The InChIKey is XRQZRQODBILACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-6-5-11-19(13-14)18(20)12-16-9-4-8-15-7-2-3-10-17(15)16/h2-4,7-10,14H,5-6,11-13H2,1H3.
What are the key properties of 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone?
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone has a molecular weight of 267.37 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 2948345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).