(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C18H31N3O4 — CID 97476363

IUPAC(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1CC2(CCN(C(=O)N3CCCC3)CC2)[C@H](COC)C1=O
InChIInChI=1S/C18H31N3O4/c1-24-12-11-21-14-18(15(13-25-2)16(21)22)5-9-20(10-6-18)17(23)19-7-3-4-8-19/h15H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyTWJAMDPUYMNMRM-OAHLLOKOSA-N
MW353.46 g/mol
LogP1.04
Rot. Bonds5

About (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97476363) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97476363
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOCCN1CC2(CCN(C(=O)N3CCCC3)CC2)[C@H](COC)C1=O
InChIInChI=1S/C18H31N3O4/c1-24-12-11-21-14-18(15(13-25-2)16(21)22)5-9-20(10-6-18)17(23)19-7-3-4-8-19/h15H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyTWJAMDPUYMNMRM-OAHLLOKOSA-N
XLogP1.04
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-ethyl-4-(methoxymethyl)-8-[2-(4-methylphenyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97476318
[(4R,5S)-2-ethyl-4-(methoxymethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-pyrrolidin-1-ylmethanone
CID 125230055
2-ethyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 155830778
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]acetic acid
CID 91920316
(6R)-8-(2-cyclopentylacetyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97153831
2-(2-methoxyethyl)-9-(2-phenylacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131680101
cyclobutyl-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155853117
N-cyclohexyl-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45221572

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 97476363) is (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is COCCN1CC2(CCN(C(=O)N3CCCC3)CC2)[C@H](COC)C1=O.
What is the InChIKey of (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is TWJAMDPUYMNMRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3O4/c1-24-12-11-21-14-18(15(13-25-2)16(21)22)5-9-20(10-6-18)17(23)19-7-3-4-8-19/h15H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
(4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 353.46 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-methoxyethyl)-4-(methoxymethyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97476363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).