4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

C18H27ClN2O2 — CID 91799142

IUPAC4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCOc1cccc(C2CN(C(C)C)C(=O)C23CCCNC3)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13(2)20-11-16(14-6-4-7-15(10-14)22-3)18(17(20)21)8-5-9-19-12-18;/h4,6-7,10,13,16,19H,5,8-9,11-12H2,1-3H3;1H
InChIKeyIEJOWOSJFOUQNV-UHFFFAOYSA-N
MW338.88 g/mol
LogP2.82
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride

4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (PubChem CID 91799142) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
PubChem CID91799142
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
SMILESCOc1cccc(C2CN(C(C)C)C(=O)C23CCCNC3)c1.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-13(2)20-11-16(14-6-4-7-15(10-14)22-3)18(17(20)21)8-5-9-19-12-18;/h4,6-7,10,13,16,19H,5,8-9,11-12H2,1-3H3;1H
InChIKeyIEJOWOSJFOUQNV-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride with MolForge

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Related Compounds

(4R)-4-(3-methoxyphenyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-1-one
CID 96530490
2-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-2,9-diazaspiro[4.5]decan-1-one
CID 91799137
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
2-ethyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060331
2-(3-methoxyphenyl)-2,9-diazaspiro[4.5]decane-1,3-dione
CID 118741544
3-(3-methoxyphenyl)-1-propan-2-ylazetidine
CID 166469184
2-(3-methoxyphenyl)-4-methyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine;hydrochloride
CID 120903631
2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074133
2-(3-methoxyphenyl)piperidin-3-one;hydrochloride
CID 115044474
N-[2-(3-methoxyphenoxy)propyl]-3-methylpiperidine-3-carboxamide
CID 136516553
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The IUPAC name of 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride (CID 91799142) is 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The canonical SMILES for 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is COc1cccc(C2CN(C(C)C)C(=O)C23CCCNC3)c1.Cl.
What is the InChIKey of 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
The InChIKey is IEJOWOSJFOUQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-13(2)20-11-16(14-6-4-7-15(10-14)22-3)18(17(20)21)8-5-9-19-12-18;/h4,6-7,10,13,16,19H,5,8-9,11-12H2,1-3H3;1H.
What are the key properties of 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride?
4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-propan-2-yl-2,9-diazaspiro[4.5]decan-1-one;hydrochloride is sourced from PubChem (CID 91799142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).