1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C18H27N5O2 — CID 56874306

IUPAC1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H27N5O2/c24-16(22-8-4-18(5-9-22)3-1-14-25-18)15-21-10-12-23(13-11-21)17-19-6-2-7-20-17/h2,6-7H,1,3-5,8-15H2
InChIKeyDRCKHHRHTZZFBD-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.77
Rot. Bonds3

About 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 56874306) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID56874306
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CCCO2)CC1
InChIInChI=1S/C18H27N5O2/c24-16(22-8-4-18(5-9-22)3-1-14-25-18)15-21-10-12-23(13-11-21)17-19-6-2-7-20-17/h2,6-7H,1,3-5,8-15H2
InChIKeyDRCKHHRHTZZFBD-UHFFFAOYSA-N
XLogP0.77
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-{[4-(Pyrimidin-2-yloxy)piperidin-1-yl]carbonyl}piperidin-1-yl)acetamide
CID 46992901
2-Cyclopropyl-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450997
2-(Dimethylamino)-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450998
2-Methoxy-1-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450999
4-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxamide
CID 97451007
(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone
CID 118739142
N,N-dimethyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118740942
[3-(Ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 118741093
Oxolan-3-yl-(4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 118745076
9-(Oxolan-3-ylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 118745296
9-(Oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
(3R*,4R*)-3-cyclobutyl-4-methyl-1-{[4-(2-pyrimidinyl)-1-piperazinyl]acetyl}-3-pyrrolidinol
CID 72875464

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 56874306) is 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCC2(CCCO2)CC1.
What is the InChIKey of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DRCKHHRHTZZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-16(22-8-4-18(5-9-22)3-1-14-25-18)15-21-10-12-23(13-11-21)17-19-6-2-7-20-17/h2,6-7H,1,3-5,8-15H2.
What are the key properties of 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 345.45 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxa-8-azaspiro[4.5]decan-8-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 56874306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).