N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

C15H22N4O2 — CID 131654701

IUPACN,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)C1CC2(CCCN(c3ncccn3)C2)CO1
InChIInChI=1S/C15H22N4O2/c1-18(2)13(20)12-9-15(11-21-12)5-3-8-19(10-15)14-16-6-4-7-17-14/h4,6-7,12H,3,5,8-11H2,1-2H3
InChIKeyGDSCWOCXRYVQCD-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds2

About N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 131654701) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID131654701
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)C1CC2(CCCN(c3ncccn3)C2)CO1
InChIInChI=1S/C15H22N4O2/c1-18(2)13(20)12-9-15(11-21-12)5-3-8-19(10-15)14-16-6-4-7-17-14/h4,6-7,12H,3,5,8-11H2,1-2H3
InChIKeyGDSCWOCXRYVQCD-UHFFFAOYSA-N
XLogP0.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-N,N-dimethyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124521194
N,N-dimethyl-9-(thiophen-2-ylmethyl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131651871
(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 98818551
(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 98778269
(3R,5R)-9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 124519960
[(1S,2R)-2-fluorocyclopropyl]-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 131690615
(5S)-2-ethylsulfonyl-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97450240
morpholin-4-yl-[(5S)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97450246
N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 134075162
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
9-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155863049
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (CID 131654701) is N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is CN(C)C(=O)C1CC2(CCCN(c3ncccn3)C2)CO1.
What is the InChIKey of N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is GDSCWOCXRYVQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)13(20)12-9-15(11-21-12)5-3-8-19(10-15)14-16-6-4-7-17-14/h4,6-7,12H,3,5,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 131654701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).