1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C19H30N6O2 — CID 138382516

IUPAC1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCN1CCC2(CC1)CN(C(=O)CN1CCN(c3ncccn3)CC1)CCO2
InChIInChI=1S/C19H30N6O2/c1-22-7-3-19(4-8-22)16-25(13-14-27-19)17(26)15-23-9-11-24(12-10-23)18-20-5-2-6-21-18/h2,5-6H,3-4,7-16H2,1H3
InChIKeyQJOUJWSVYKINGE-UHFFFAOYSA-N
MW374.49 g/mol
LogP-0.08
Rot. Bonds3

About 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 138382516) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID138382516
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCN1CCC2(CC1)CN(C(=O)CN1CCN(c3ncccn3)CC1)CCO2
InChIInChI=1S/C19H30N6O2/c1-22-7-3-19(4-8-22)16-25(13-14-27-19)17(26)15-23-9-11-24(12-10-23)18-20-5-2-6-21-18/h2,5-6H,3-4,7-16H2,1H3
InChIKeyQJOUJWSVYKINGE-UHFFFAOYSA-N
XLogP-0.08
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
1-(2,8-diazaspiro[4.5]decan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 91839669
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632
1-[4-(5-chloropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-2-pyrrolidin-1-ylethanone
CID 131951201
(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164696122
8a-ethyl-7-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146038617
1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135105492
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-3-methylsulfonylpropan-1-one
CID 138382170

Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 138382516) is 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is CN1CCC2(CC1)CN(C(=O)CN1CCN(c3ncccn3)CC1)CCO2.
What is the InChIKey of 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is QJOUJWSVYKINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-22-7-3-19(4-8-22)16-25(13-14-27-19)17(26)15-23-9-11-24(12-10-23)18-20-5-2-6-21-18/h2,5-6H,3-4,7-16H2,1H3.
What are the key properties of 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 374.49 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 138382516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).