1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone

C15H22N4O — CID 3234494

IUPAC1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C15H22N4O/c1-13(20)18-10-5-15(6-11-18)4-2-9-19(12-15)14-16-7-3-8-17-14/h3,7-8H,2,4-6,9-12H2,1H3
InChIKeyCAFJNMSPGKZSPC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.71
Rot. Bonds1

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

1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (PubChem CID 3234494) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
PubChem CID3234494
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
SMILESCC(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1
InChIInChI=1S/C15H22N4O/c1-13(20)18-10-5-15(6-11-18)4-2-9-19(12-15)14-16-7-3-8-17-14/h3,7-8H,2,4-6,9-12H2,1H3
InChIKeyCAFJNMSPGKZSPC-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Buspirone
CID 2477
Buspirone Hydrochloride
CID 36431
Gepirone
CID 55191
Gepirone monohydrochloride
CID 55190
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
8-[3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 4713258
8-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 21517011
Tert-butyl 4-(1-(pyrimidin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54580903
Tert-butyl 1'-pyrimidin-4-yl-4,4'-bipiperidine-1-carboxylate
CID 54586777
Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-
CID 3074862
9-(Methylsulfonyl)-2-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecane
CID 3232716
8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-pentyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 44292490

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The IUPAC name of 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone (CID 3234494) is 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone.
What is the SMILES notation for 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The canonical SMILES for 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is CC(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1.
What is the InChIKey of 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
The InChIKey is CAFJNMSPGKZSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-13(20)18-10-5-15(6-11-18)4-2-9-19(12-15)14-16-7-3-8-17-14/h3,7-8H,2,4-6,9-12H2,1H3.
What are the key properties of 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone?
1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone is sourced from PubChem (CID 3234494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).