[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone

C18H22N2O — CID 115304562

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESCNC1(C)CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O/c1-18(19-2)10-12-20(13-11-18)17(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,19H,10-13H2,1-2H3
InChIKeyLICWTFCPLFXWHH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone

[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 115304562) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
PubChem CID115304562
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
SMILESCNC1(C)CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C18H22N2O/c1-18(19-2)10-12-20(13-11-18)17(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,19H,10-13H2,1-2H3
InChIKeyLICWTFCPLFXWHH-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[4-methyl-4-(methylamino)piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 115304551
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-methyl-4-(methylamino)piperidin-1-yl]-(3-methyl-2-nitrophenyl)methanone
CID 115304475
2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
CID 138014409
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51278984
naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 67393097
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 42191937
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone (CID 115304562) is [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone is CNC1(C)CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is LICWTFCPLFXWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(19-2)10-12-20(13-11-18)17(21)16-9-5-7-14-6-3-4-8-15(14)16/h3-9,19H,10-13H2,1-2H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 282.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 115304562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).