(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one

C20H25NO2 — CID 92674448

IUPAC(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C20H25NO2/c1-3-19(20(22)21-12-10-15(2)11-13-21)23-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19H,3,10-13H2,1-2H3/t19-/m1/s1
InChIKeyCJOHMSOJPMIXKC-LJQANCHMSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds4

About (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one

(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one (PubChem CID 92674448) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
PubChem CID92674448
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one
SMILESCC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C)CC1
InChIInChI=1S/C20H25NO2/c1-3-19(20(22)21-12-10-15(2)11-13-21)23-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19H,3,10-13H2,1-2H3/t19-/m1/s1
InChIKeyCJOHMSOJPMIXKC-LJQANCHMSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[(2R)-2-naphthalen-2-yloxybutanoyl]piperidine-4-carboxylate
CID 30392998
(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92675803
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 38007048
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 30388193
(2S)-2-naphthalen-2-yloxy-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 92676495
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-naphthalen-2-yloxybutan-1-one
CID 92677927
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2S)-2-(2,3-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)butan-1-one
CID 94019570
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
(2R)-1-(2,3-dihydroindol-1-yl)-2-naphthalen-2-yloxybutan-1-one
CID 1225094
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The IUPAC name of (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one (CID 92674448) is (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one.
What is the SMILES notation for (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The canonical SMILES for (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one is CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCC(C)CC1.
What is the InChIKey of (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
The InChIKey is CJOHMSOJPMIXKC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-19(20(22)21-12-10-15(2)11-13-21)23-18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15,19H,3,10-13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one?
(2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one has a molecular weight of 311.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpiperidin-1-yl)-2-naphthalen-2-yloxybutan-1-one is sourced from PubChem (CID 92674448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).