2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone

C18H26N4O2 — CID 138036746

IUPAC2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1cc(N2CCCCC2)ncn1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C18H26N4O2/c23-17(22-9-4-5-18(12-22)6-10-24-13-18)15-11-16(20-14-19-15)21-7-2-1-3-8-21/h11,14H,1-10,12-13H2
InChIKeyRHSFYVFTUFPYHT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.11
Rot. Bonds2

About 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone

2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone (PubChem CID 138036746) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone
PubChem CID138036746
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone
SMILESO=C(c1cc(N2CCCCC2)ncn1)N1CCCC2(CCOC2)C1
InChIInChI=1S/C18H26N4O2/c23-17(22-9-4-5-18(12-22)6-10-24-13-18)15-11-16(20-14-19-15)21-7-2-1-3-8-21/h11,14H,1-10,12-13H2
InChIKeyRHSFYVFTUFPYHT-UHFFFAOYSA-N
XLogP2.11
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[2-methyl-6-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidine-4-carboxylate
CID 75361098
[(2S,3aS,7aR)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97367286
[(2S,3aS,7aS)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 97369347
1-(6-Morpholinopyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 91816381
[(1S)-2-methyl-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-yl]-pyrrolidin-1-ylmethanone
CID 164639536
[6-Methyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 137995050
[1-(Difluoromethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 139021961
2-(2-Methoxyethyl)-9-(pyrimidine-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98895510
Tert-butyl 4-[1-(6-carbamoylpyrimidin-4-yl)piperidin-4-yl]piperidine-1-carboxylate
CID 24962160
(4-aminopiperidin-1-yl)-[6-[[(2R)-oxan-2-yl]methylamino]pyrimidin-4-yl]methanone
CID 139546881
[6-(Oxan-2-ylmethylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 153939968
6-[4-[3-(Oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376564

Frequently Asked Questions

What is the IUPAC name of 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The IUPAC name of 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone (CID 138036746) is 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone.
What is the SMILES notation for 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The canonical SMILES for 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone is O=C(c1cc(N2CCCCC2)ncn1)N1CCCC2(CCOC2)C1.
What is the InChIKey of 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
The InChIKey is RHSFYVFTUFPYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-17(22-9-4-5-18(12-22)6-10-24-13-18)15-11-16(20-14-19-15)21-7-2-1-3-8-21/h11,14H,1-10,12-13H2.
What are the key properties of 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone?
2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-9-azaspiro[4.5]decan-9-yl-(6-piperidin-1-ylpyrimidin-4-yl)methanone is sourced from PubChem (CID 138036746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).