1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

C14H24N2O3 — CID 54885805

IUPAC1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1COCCO1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H24N2O3/c17-14(13-10-18-7-8-19-13)16-6-2-3-11(9-16)12-4-1-5-15-12/h11-13,15H,1-10H2
InChIKeySUVSRDOCMIDSJI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.39
Rot. Bonds2

About 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone

1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (PubChem CID 54885805) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
PubChem CID54885805
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
SMILESO=C(C1COCCO1)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H24N2O3/c17-14(13-10-18-7-8-19-13)16-6-2-3-11(9-16)12-4-1-5-15-12/h11-13,15H,1-10H2
InChIKeySUVSRDOCMIDSJI-UHFFFAOYSA-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 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone (CID 54885805) is 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is O=C(C1COCCO1)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is SUVSRDOCMIDSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-14(13-10-18-7-8-19-13)16-6-2-3-11(9-16)12-4-1-5-15-12/h11-13,15H,1-10H2.
What are the key properties of 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone?
1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-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 1,4-dioxan-2-yl-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 54885805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).