1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone

C20H23NO4 — CID 95270021

IUPAC1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C20H23NO4/c22-19(21-10-4-3-7-18(21)20-23-11-12-24-20)14-25-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13,18,20H,3-4,7,10-12,14H2/t18-/m1/s1
InChIKeyPPCAJEFBFOAQSW-GOSISDBHSA-N
MW341.41 g/mol
LogP2.97
Rot. Bonds4

About 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone

1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone (PubChem CID 95270021) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
PubChem CID95270021
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
SMILESO=C(COc1ccc2ccccc2c1)N1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C20H23NO4/c22-19(21-10-4-3-7-18(21)20-23-11-12-24-20)14-25-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13,18,20H,3-4,7,10-12,14H2/t18-/m1/s1
InChIKeyPPCAJEFBFOAQSW-GOSISDBHSA-N
XLogP2.97
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 95293830
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 119648574
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95281338
(E)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 95270198
1-[4-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1148106
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
1-[4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 6970802
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-2-naphthalen-2-yloxyacetamide
CID 100851447

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The IUPAC name of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone (CID 95270021) is 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone.
What is the SMILES notation for 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The canonical SMILES for 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone is O=C(COc1ccc2ccccc2c1)N1CCCC[C@@H]1C1OCCO1.
What is the InChIKey of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
The InChIKey is PPCAJEFBFOAQSW-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23NO4/c22-19(21-10-4-3-7-18(21)20-23-11-12-24-20)14-25-17-9-8-15-5-1-2-6-16(15)13-17/h1-2,5-6,8-9,13,18,20H,3-4,7,10-12,14H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone?
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone has a molecular weight of 341.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone is sourced from PubChem (CID 95270021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).