N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide

C15H22N4O2 — CID 72934440

IUPACN-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3ccncn3)CC2)O1
InChIInChI=1S/C15H22N4O2/c1-12(20)17-10-13-2-4-15(21-13)5-8-19(9-6-15)14-3-7-16-11-18-14/h3,7,11,13H,2,4-6,8-10H2,1H3,(H,17,20)
InChIKeyAESXPBNPVXMJHT-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.13
Rot. Bonds3

About N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide

N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide (PubChem CID 72934440) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide
PubChem CID72934440
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide
SMILESCC(=O)NCC1CCC2(CCN(c3ccncn3)CC2)O1
InChIInChI=1S/C15H22N4O2/c1-12(20)17-10-13-2-4-15(21-13)5-8-19(9-6-15)14-3-7-16-11-18-14/h3,7,11,13H,2,4-6,8-10H2,1H3,(H,17,20)
InChIKeyAESXPBNPVXMJHT-UHFFFAOYSA-N
XLogP1.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 648367
1-(Oxolan-2-ylmethyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]urea
CID 51081506
N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 97364994
(2S,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366665
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366895
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388455
(2R,3aS,7aS)-N-(2-methoxyethyl)-6-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97388459
9-Pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471364
(3aS,4S,7aS)-N-(2-methoxyethyl)-6-pyrimidin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 98810469
(3-Methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-pyrimidin-2-ylmethanone
CID 118739142
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194

Frequently Asked Questions

What is the IUPAC name of N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide?
The IUPAC name of N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide (CID 72934440) is N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide?
The canonical SMILES for N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide is CC(=O)NCC1CCC2(CCN(c3ccncn3)CC2)O1.
What is the InChIKey of N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide?
The InChIKey is AESXPBNPVXMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12(20)17-10-13-2-4-15(21-13)5-8-19(9-6-15)14-3-7-16-11-18-14/h3,7,11,13H,2,4-6,8-10H2,1H3,(H,17,20).
What are the key properties of N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide?
N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-pyrimidin-4-yl-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide is sourced from PubChem (CID 72934440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).