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

C16H28N2O3 — CID 138807507

IUPAC[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(CCC2COCCO2)CC1)N1CCCC1
InChIInChI=1S/C16H28N2O3/c19-16(18-6-1-2-7-18)14-3-8-17(9-4-14)10-5-15-13-20-11-12-21-15/h14-15H,1-13H2
InChIKeyLEMLJDINJLMLIX-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.13
Rot. Bonds4

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

[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 138807507) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID138807507
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(CCC2COCCO2)CC1)N1CCCC1
InChIInChI=1S/C16H28N2O3/c19-16(18-6-1-2-7-18)14-3-8-17(9-4-14)10-5-15-13-20-11-12-21-15/h14-15H,1-13H2
InChIKeyLEMLJDINJLMLIX-UHFFFAOYSA-N
XLogP1.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]methanone
CID 131899076
N-cyclopropyl-3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]propanamide
CID 139599026
1-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 138808108
N-[(2-chlorophenyl)methyl]-1-[2-(1,4-dioxan-2-yl)ethyl]piperidine-4-carboxamide
CID 138807976
1-[2-(1,4-dioxan-2-yl)ethyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 138808675
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-(oxolan-3-yl)methanone
CID 55204831
3-[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-5-methyl-1,2,4-oxadiazole
CID 138808586
[(3R,5S)-1-[2-(1,4-dioxan-2-yl)ethyl]-5-(hydroxymethyl)piperidin-3-yl]methanol
CID 139598646
[4-(2-hydroxyethyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 94191646
2-(azepan-1-yl)-1-[4-(1,4-dioxan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 134708886
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427982

Frequently Asked Questions

What is the IUPAC name of [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 138807507) is [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(CCC2COCCO2)CC1)N1CCCC1.
What is the InChIKey of [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LEMLJDINJLMLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-16(18-6-1-2-7-18)14-3-8-17(9-4-14)10-5-15-13-20-11-12-21-15/h14-15H,1-13H2.
What are the key properties of [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 296.41 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1,4-dioxan-2-yl)ethyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 138807507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).