N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide

C16H24N4O2 — CID 110131080

IUPACN-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(=O)N(C)C1CCOC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-13(21)19(2)14-4-11-22-16(12-14)5-9-20(10-6-16)15-17-7-3-8-18-15/h3,7-8,14H,4-6,9-12H2,1-2H3
InChIKeyPBGJBYRXQPZIMP-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.47
Rot. Bonds2

About N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide

N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide (PubChem CID 110131080) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
PubChem CID110131080
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
SMILESCC(=O)N(C)C1CCOC2(CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N4O2/c1-13(21)19(2)14-4-11-22-16(12-14)5-9-20(10-6-16)15-17-7-3-8-18-15/h3,7-8,14H,4-6,9-12H2,1-2H3
InChIKeyPBGJBYRXQPZIMP-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124991686
2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid
CID 124976892
N,N-dimethyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97371198
N-[(4S)-9-(4-benzyl-1-methylpiperidine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124990915
N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
N-methyl-N-(pyridin-3-ylmethyl)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 155828216
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
N-methyl-2-[[(3R)-8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl]oxy]acetamide
CID 97487333
N-[(5R,9S)-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-yl]pyridine-4-carboxamide
CID 97475846
N,N-dimethyl-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840370
(3R)-8-pyrimidin-2-yl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371319

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The IUPAC name of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide (CID 110131080) is N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide is CC(=O)N(C)C1CCOC2(CCN(c3ncccn3)CC2)C1.
What is the InChIKey of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
The InChIKey is PBGJBYRXQPZIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(21)19(2)14-4-11-22-16(12-14)5-9-20(10-6-16)15-17-7-3-8-18-15/h3,7-8,14H,4-6,9-12H2,1-2H3.
What are the key properties of N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide?
N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide is sourced from PubChem (CID 110131080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).