1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

C15H26N2O3 — CID 138808108

IUPAC1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C15H26N2O3/c18-15-2-1-6-17(15)13-3-7-16(8-4-13)9-5-14-12-19-10-11-20-14/h13-14H,1-12H2
InChIKeyZYYBUTPEYVCBIG-UHFFFAOYSA-N
MW282.38 g/mol
LogP0.88
Rot. Bonds4

About 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 138808108) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID138808108
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(CCC2COCCO2)CC1
InChIInChI=1S/C15H26N2O3/c18-15-2-1-6-17(15)13-3-7-16(8-4-13)9-5-14-12-19-10-11-20-14/h13-14H,1-12H2
InChIKeyZYYBUTPEYVCBIG-UHFFFAOYSA-N
XLogP0.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]morpholine
CID 139599433
[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 138807507
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
CID 155126020
N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide
CID 139599026
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586
1-[2-(1,4-dioxan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 138808675
1-cyclodecylpyrrolidin-2-one
CID 138507623
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
4-[2-(1,4-dioxan-2-yl)ethyl]-1-phenylpiperazin-2-one
CID 138808202
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-methoxyphenyl)piperidine
CID 138807451
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one (CID 138808108) is 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(CCC2COCCO2)CC1.
What is the InChIKey of 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is ZYYBUTPEYVCBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-15-2-1-6-17(15)13-3-7-16(8-4-13)9-5-14-12-19-10-11-20-14/h13-14H,1-12H2.
What are the key properties of 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 282.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 138808108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).