[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone

C13H23N3O2 — CID 66203292

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H23N3O2/c17-13(11-2-1-7-18-10-11)16-5-3-15(4-6-16)12-8-14-9-12/h11-12,14H,1-10H2
InChIKeyJLGBWAMNWOHTKL-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.47
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone (PubChem CID 66203292) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
PubChem CID66203292
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C13H23N3O2/c17-13(11-2-1-7-18-10-11)16-5-3-15(4-6-16)12-8-14-9-12/h11-12,14H,1-10H2
InChIKeyJLGBWAMNWOHTKL-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
CID 62760326
cyclobutyl-(4-piperidin-3-ylpiperazin-1-yl)methanone
CID 115270016
azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
CID 79152124
N'-hydroxy-1-(oxane-3-carbonyl)piperidine-4-carboximidamide
CID 77038913
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 96500717
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
2-[4-(oxane-3-carbonyl)piperazin-1-yl]butanethioamide
CID 63340411
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
1,4-diazabicyclo[2.2.2]octan-2-yl(oxan-3-yl)methanone
CID 107135954

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone (CID 66203292) is [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone is O=C(C1CCCOC1)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is JLGBWAMNWOHTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13(11-2-1-7-18-10-11)16-5-3-15(4-6-16)12-8-14-9-12/h11-12,14H,1-10H2.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 253.35 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 66203292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).