[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

C23H36N4O — CID 42507900

IUPAC[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)nc(C)n1
InChIInChI=1S/C23H36N4O/c1-18-15-21(25-19(2)24-18)22(28)27-14-11-23(17-27)10-6-12-26(16-23)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3/t23-/m1/s1
InChIKeyZQEDCIOKYDCMID-HSZRJFAPSA-N
MW384.57 g/mol
LogP3.99
Rot. Bonds4

About [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone

[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (PubChem CID 42507900) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
PubChem CID42507900
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)nc(C)n1
InChIInChI=1S/C23H36N4O/c1-18-15-21(25-19(2)24-18)22(28)27-14-11-23(17-27)10-6-12-26(16-23)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3/t23-/m1/s1
InChIKeyZQEDCIOKYDCMID-HSZRJFAPSA-N
XLogP3.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 45201373
3H-benzimidazol-5-yl-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42197173
(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone
CID 56740288
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45209392
5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
CID 119058484
(2,6-dimethylpyrimidin-4-yl)-[4-hydroxy-3,3-dimethyl-4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 72874217
3-[2-[(5S)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione
CID 42396254
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 126447898
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 135095838
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
1-[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(2-methylimidazol-1-yl)propan-1-one
CID 42519327

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The IUPAC name of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone (CID 42507900) is [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The canonical SMILES for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is Cc1cc(C(=O)N2CC[C@@]3(CCCN(CCC4CCCCC4)C3)C2)nc(C)n1.
What is the InChIKey of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
The InChIKey is ZQEDCIOKYDCMID-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H36N4O/c1-18-15-21(25-19(2)24-18)22(28)27-14-11-23(17-27)10-6-12-26(16-23)13-9-20-7-4-3-5-8-20/h15,20H,3-14,16-17H2,1-2H3/t23-/m1/s1.
What are the key properties of [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone?
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone has a molecular weight of 384.57 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone is sourced from PubChem (CID 42507900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).