1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone

C20H30N2O3 — CID 97475946

IUPAC1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOC[C@@H]1CCC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)N1C
InChIInChI=1S/C20H30N2O3/c1-21-17(15-24-2)7-8-20(21)9-11-22(12-10-20)19(23)14-16-5-4-6-18(13-16)25-3/h4-6,13,17H,7-12,14-15H2,1-3H3/t17-/m0/s1
InChIKeyBNPVTTAIFYRWJU-KRWDZBQOSA-N
MW346.47 g/mol
LogP2.34
Rot. Bonds5

About 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone

1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 97475946) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID97475946
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOC[C@@H]1CCC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)N1C
InChIInChI=1S/C20H30N2O3/c1-21-17(15-24-2)7-8-20(21)9-11-22(12-10-20)19(23)14-16-5-4-6-18(13-16)25-3/h4-6,13,17H,7-12,14-15H2,1-3H3/t17-/m0/s1
InChIKeyBNPVTTAIFYRWJU-KRWDZBQOSA-N
XLogP2.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 131650088
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97477667
1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(3-methoxyphenyl)ethanone
CID 97418511
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
1-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 119306909
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
1-[(3aS,8aS)-1-methyl-3a-(pyrrolidine-1-carbonyl)-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepin-6-yl]-2-(3-methoxyphenyl)ethanone
CID 124820749
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[2-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone
CID 3812253
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone (CID 97475946) is 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone is COC[C@@H]1CCC2(CCN(C(=O)Cc3cccc(OC)c3)CC2)N1C.
What is the InChIKey of 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is BNPVTTAIFYRWJU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21-17(15-24-2)7-8-20(21)9-11-22(12-10-20)19(23)14-16-5-4-6-18(13-16)25-3/h4-6,13,17H,7-12,14-15H2,1-3H3/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone?
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 346.47 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 97475946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).