[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone

C14H24N2O3 — CID 94607673

IUPAC[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1COCCO1)N1CCC[C@@H]1C1CCNCC1
InChIInChI=1S/C14H24N2O3/c17-14(13-10-18-8-9-19-13)16-7-1-2-12(16)11-3-5-15-6-4-11/h11-13,15H,1-10H2/t12-,13+/m1/s1
InChIKeyYCOIFKMRQVEGBO-OLZOCXBDSA-N
MW268.36 g/mol
LogP0.39
Rot. Bonds2

About [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone

[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 94607673) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone
PubChem CID94607673
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1COCCO1)N1CCC[C@@H]1C1CCNCC1
InChIInChI=1S/C14H24N2O3/c17-14(13-10-18-8-9-19-13)16-7-1-2-12(16)11-3-5-15-6-4-11/h11-13,15H,1-10H2/t12-,13+/m1/s1
InChIKeyYCOIFKMRQVEGBO-OLZOCXBDSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone (CID 94607673) is [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone is O=C([C@@H]1COCCO1)N1CCC[C@@H]1C1CCNCC1.
What is the InChIKey of [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is YCOIFKMRQVEGBO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-14(13-10-18-8-9-19-13)16-7-1-2-12(16)11-3-5-15-6-4-11/h11-13,15H,1-10H2/t12-,13+/m1/s1.
What are the key properties of [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone?
[(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 268.36 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,4-dioxan-2-yl]-[(2R)-2-piperidin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 94607673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).