1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

C15H22N4O — CID 3235364

IUPAC1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C15H22N4O/c1-13(20)18-9-3-15(4-10-18)5-11-19(12-6-15)14-16-7-2-8-17-14/h2,7-8H,3-6,9-12H2,1H3
InChIKeyYYWOFKRBYGRMHV-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.71
Rot. Bonds1

About 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone

1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (PubChem CID 3235364) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.

Molecular Properties

Compound Name1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
PubChem CID3235364
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2
InChIInChI=1S/C15H22N4O/c1-13(20)18-9-3-15(4-10-18)5-11-19(12-6-15)14-16-7-2-8-17-14/h2,7-8H,3-6,9-12H2,1H3
InChIKeyYYWOFKRBYGRMHV-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

Analyze 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Buspirone
CID 2477
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
8-[3,3-Dimethyl-4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 44292505
8-[5-(4-Pyrimidin-2-ylpiperazin-1-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
CID 12840731
Cyclohexyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 727067
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233892

Frequently Asked Questions

What is the IUPAC name of 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The IUPAC name of 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone (CID 3235364) is 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone.
What is the SMILES notation for 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The canonical SMILES for 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is CC(=O)N1CCC2(CC1)CCN(c1ncccn1)CC2.
What is the InChIKey of 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
The InChIKey is YYWOFKRBYGRMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-13(20)18-9-3-15(4-10-18)5-11-19(12-6-15)14-16-7-2-8-17-14/h2,7-8H,3-6,9-12H2,1H3.
What are the key properties of 1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone?
1-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-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-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone is sourced from PubChem (CID 3235364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).