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

C16H21NO4 — CID 95293830

IUPAC1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C16H21NO4/c18-15(12-21-13-6-2-1-3-7-13)17-9-5-4-8-14(17)16-19-10-11-20-16/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m1/s1
InChIKeyUQRXCNNIKZURTD-CQSZACIVSA-N
MW291.35 g/mol
LogP1.82
Rot. Bonds4

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

1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone (PubChem CID 95293830) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
PubChem CID95293830
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1C1OCCO1
InChIInChI=1S/C16H21NO4/c18-15(12-21-13-6-2-1-3-7-13)17-9-5-4-8-14(17)16-19-10-11-20-16/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m1/s1
InChIKeyUQRXCNNIKZURTD-CQSZACIVSA-N
XLogP1.82
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.82
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-naphthalen-2-yloxyethanone
CID 95270021
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
CID 95383453
1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95281338
1-[2-(1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenoxyethanone
CID 141173736
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268349
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
1-[(4aS,7R,7aR)-7-(cyclopropylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-phenoxyethanone
CID 97388159
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone (CID 95293830) is 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1C1OCCO1.
What is the InChIKey of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is UQRXCNNIKZURTD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c18-15(12-21-13-6-2-1-3-7-13)17-9-5-4-8-14(17)16-19-10-11-20-16/h1-3,6-7,14,16H,4-5,8-12H2/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 291.35 g/mol, XLogP of 1.82, 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-phenoxyethanone is sourced from PubChem (CID 95293830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).