2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone

C16H20ClNO3 — CID 95383453

IUPAC2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C16H20ClNO3/c17-13-6-2-1-5-12(13)11-15(19)18-8-4-3-7-14(18)16-20-9-10-21-16/h1-2,5-6,14,16H,3-4,7-11H2/t14-/m0/s1
InChIKeyQYCWUTNJTUTVFJ-AWEZNQCLSA-N
MW309.79 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone

2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone (PubChem CID 95383453) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
PubChem CID95383453
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCCC[C@H]1C1OCCO1
InChIInChI=1S/C16H20ClNO3/c17-13-6-2-1-5-12(13)11-15(19)18-8-4-3-7-14(18)16-20-9-10-21-16/h1-2,5-6,14,16H,3-4,7-11H2/t14-/m0/s1
InChIKeyQYCWUTNJTUTVFJ-AWEZNQCLSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95281338
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 95293830
2-(2-chlorophenyl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 136524926
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80678246
2-(2-chlorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110797575
(E)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 95270198
1-[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 95270021
(2S)-N-benzyl-2-(1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 95268349
2-(2-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94161042
2-(2-chlorophenyl)-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 97014148
2-(2-chlorophenyl)-1-[(2R)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 51855627
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone (CID 95383453) is 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCCC[C@H]1C1OCCO1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QYCWUTNJTUTVFJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20ClNO3/c17-13-6-2-1-5-12(13)11-15(19)18-8-4-3-7-14(18)16-20-9-10-21-16/h1-2,5-6,14,16H,3-4,7-11H2/t14-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 309.79 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95383453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).