(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

C18H26N4O2 — CID 98818551

IUPAC(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cnc(N2CCC[C@@]3(CO[C@H](C(=O)NC4CCC4)C3)C2)nc1
InChIInChI=1S/C18H26N4O2/c1-13-9-19-17(20-10-13)22-7-3-6-18(11-22)8-15(24-12-18)16(23)21-14-4-2-5-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,21,23)/t15-,18-/m0/s1
InChIKeyQVFRNYRBOADMCG-YJBOKZPZSA-N
MW330.43 g/mol
LogP1.83
Rot. Bonds3

About (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide

(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (PubChem CID 98818551) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
PubChem CID98818551
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
SMILESCc1cnc(N2CCC[C@@]3(CO[C@H](C(=O)NC4CCC4)C3)C2)nc1
InChIInChI=1S/C18H26N4O2/c1-13-9-19-17(20-10-13)22-7-3-6-18(11-22)8-15(24-12-18)16(23)21-14-4-2-5-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,21,23)/t15-,18-/m0/s1
InChIKeyQVFRNYRBOADMCG-YJBOKZPZSA-N
XLogP1.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5R)-N-(cyclopropylmethyl)-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 98778269
(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-pyrimidin-2-yl-2-oxa-9-azaspiro[4.5]decane-3-carboxamide
CID 131654701
2-methyl-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 118639949
11-ethyl-2-(5-methylpyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155860436
2-methyl-N-[(3S)-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 97490595
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
N-methyl-9-pyrimidin-2-yl-2-oxa-9-azaspiro[5.5]undecane-3-carboxamide
CID 134075162
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
[9-(5-fluoropyrimidin-2-yl)-2,9-diazaspiro[4.5]decan-2-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 134080134
2-(5-methylpyrimidin-2-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 163233608
(2S)-N-cyclobutyl-6-(5-methylpyrazine-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 97493493

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide (CID 98818551) is (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is Cc1cnc(N2CCC[C@@]3(CO[C@H](C(=O)NC4CCC4)C3)C2)nc1.
What is the InChIKey of (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is QVFRNYRBOADMCG-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-9-19-17(20-10-13)22-7-3-6-18(11-22)8-15(24-12-18)16(23)21-14-4-2-5-14/h9-10,14-15H,2-8,11-12H2,1H3,(H,21,23)/t15-,18-/m0/s1.
What are the key properties of (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide?
(3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-N-cyclobutyl-9-(5-methylpyrimidin-2-yl)-2-oxa-9-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 98818551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).