2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one

C22H31N3O4 — CID 97282409

IUPAC2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(CN2CC3(CCN(C(=O)C[C@@H]4CNCCO4)CC3)CC2=O)c1
InChIInChI=1S/C22H31N3O4/c1-28-18-4-2-3-17(11-18)15-25-16-22(13-21(25)27)5-8-24(9-6-22)20(26)12-19-14-23-7-10-29-19/h2-4,11,19,23H,5-10,12-16H2,1H3/t19-/m1/s1
InChIKeyFMUADUWERPMIAV-LJQANCHMSA-N
MW401.51 g/mol
LogP1.41
Rot. Bonds5

About 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97282409) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97282409
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1cccc(CN2CC3(CCN(C(=O)C[C@@H]4CNCCO4)CC3)CC2=O)c1
InChIInChI=1S/C22H31N3O4/c1-28-18-4-2-3-17(11-18)15-25-16-22(13-21(25)27)5-8-24(9-6-22)20(26)12-19-14-23-7-10-29-19/h2-4,11,19,23H,5-10,12-16H2,1H3/t19-/m1/s1
InChIKeyFMUADUWERPMIAV-LJQANCHMSA-N
XLogP1.41
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-9-[2-[(2S)-morpholin-2-yl]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127014
2-[(3-methoxyphenyl)methyl]-8-[2-(1,2,4-triazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70765765
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 70713784
8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70769440
2-[(3-methoxyphenyl)methyl]-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-3-one
CID 70733639
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911
4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815
2-(3-methoxyphenyl)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 90510623
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
(3S)-2-acetyl-8-[2-(3-methoxyphenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 96572387
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
8-[2-(3-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668843

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97282409) is 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one is COc1cccc(CN2CC3(CCN(C(=O)C[C@@H]4CNCCO4)CC3)CC2=O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FMUADUWERPMIAV-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-28-18-4-2-3-17(11-18)15-25-16-22(13-21(25)27)5-8-24(9-6-22)20(26)12-19-14-23-7-10-29-19/h2-4,11,19,23H,5-10,12-16H2,1H3/t19-/m1/s1.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 401.51 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-8-[2-[(2R)-morpholin-2-yl]acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97282409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).