(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C22H30N4O2 — CID 25285350

IUPAC(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1
InChIInChI=1S/C22H30N4O2/c1-17-23-13-19(24(17)2)15-25-11-9-22(16-25)8-5-10-26(21(22)27)14-18-6-4-7-20(12-18)28-3/h4,6-7,12-13H,5,8-11,14-16H2,1-3H3/t22-/m0/s1
InChIKeyFAMPUNVYUUUTLN-QFIPXVFZSA-N
MW382.51 g/mol
LogP2.75
Rot. Bonds5

About (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25285350) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25285350
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1
InChIInChI=1S/C22H30N4O2/c1-17-23-13-19(24(17)2)15-25-11-9-22(16-25)8-5-10-26(21(22)27)14-18-6-4-7-20(12-18)28-3/h4,6-7,12-13H,5,8-11,14-16H2,1-3H3/t22-/m0/s1
InChIKeyFAMPUNVYUUUTLN-QFIPXVFZSA-N
XLogP2.75
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42520655
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25395770
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373921
2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131647571
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 56912097
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 25285350) is (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCC[C@@]3(CCN(Cc4cnc(C)n4C)C3)C2=O)c1.
What is the InChIKey of (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FAMPUNVYUUUTLN-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17-23-13-19(24(17)2)15-25-11-9-22(16-25)8-5-10-26(21(22)27)14-18-6-4-7-20(12-18)28-3/h4,6-7,12-13H,5,8-11,14-16H2,1-3H3/t22-/m0/s1.
What are the key properties of (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 382.51 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25285350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).