(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

C18H26N2O2 — CID 96530490

IUPAC(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cccc([C@H]2CN(C(C)C)C(=O)C23CCNCC3)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)20-12-16(14-5-4-6-15(11-14)22-3)18(17(20)21)7-9-19-10-8-18/h4-6,11,13,16,19H,7-10,12H2,1-3H3/t16-/m1/s1
InChIKeyQEGFGJSYMPECJB-MRXNPFEDSA-N
MW302.42 g/mol
LogP2.40
Rot. Bonds3

About (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one

(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 96530490) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID96530490
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCOc1cccc([C@H]2CN(C(C)C)C(=O)C23CCNCC3)c1
InChIInChI=1S/C18H26N2O2/c1-13(2)20-12-16(14-5-4-6-15(11-14)22-3)18(17(20)21)7-9-19-10-8-18/h4-6,11,13,16,19H,7-10,12H2,1-3H3/t16-/m1/s1
InChIKeyQEGFGJSYMPECJB-MRXNPFEDSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 91799142
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4-fluoro-3-(3-methoxyphenyl)-4-methylpiperidine
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CID 166469184
1-(2-aminopropyl)-4-(3-methoxyphenyl)imidazolidin-2-one
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3-[2-(3-methoxyphenyl)ethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70742509
4-(3-methoxyphenyl)-1-pyrrolidin-3-ylimidazolidin-2-one
CID 116978989
(4R)-2-tert-butyl-4-(2-methoxyphenyl)-2,8-diazaspiro[4.5]decan-1-one
CID 99946083
dimethyl 2-(3-methoxyphenyl)cyclopropane-1,1-dicarboxylate
CID 132540324
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
(2R)-2-(3-methoxyphenyl)-4,4-dimethylcyclohexan-1-one
CID 124560423

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one (CID 96530490) is (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is COc1cccc([C@H]2CN(C(C)C)C(=O)C23CCNCC3)c1.
What is the InChIKey of (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is QEGFGJSYMPECJB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)20-12-16(14-5-4-6-15(11-14)22-3)18(17(20)21)7-9-19-10-8-18/h4-6,11,13,16,19H,7-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one?
(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 96530490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).