(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C22H28N4O2 — CID 45195685

IUPAC(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1ncc(C(=O)N2CCC3(CCCN(CCc4ccccc4)C3)C2)cn1
InChIInChI=1S/C22H28N4O2/c1-28-21-23-14-19(15-24-21)20(27)26-13-10-22(17-26)9-5-11-25(16-22)12-8-18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16-17H2,1H3
InChIKeyQPTKOPIASIROCW-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.66
Rot. Bonds5

About (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 45195685) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID45195685
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESCOc1ncc(C(=O)N2CCC3(CCCN(CCc4ccccc4)C3)C2)cn1
InChIInChI=1S/C22H28N4O2/c1-28-21-23-14-19(15-24-21)20(27)26-13-10-22(17-26)9-5-11-25(16-22)12-8-18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16-17H2,1H3
InChIKeyQPTKOPIASIROCW-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone with MolForge

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Related Compounds

[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(E)-1-[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 25278228
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457

Frequently Asked Questions

What is the IUPAC name of (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 45195685) is (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is COc1ncc(C(=O)N2CCC3(CCCN(CCc4ccccc4)C3)C2)cn1.
What is the InChIKey of (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is QPTKOPIASIROCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-21-23-14-19(15-24-21)20(27)26-13-10-22(17-26)9-5-11-25(16-22)12-8-18-6-3-2-4-7-18/h2-4,6-7,14-15H,5,8-13,16-17H2,1H3.
What are the key properties of (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 45195685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).