7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one

C22H32N2O3 — CID 45226503

IUPAC7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCCC3(CCN(C(=O)CCC(C)C)C3)C2=O)c1
InChIInChI=1S/C22H32N2O3/c1-17(2)8-9-20(25)24-13-11-22(16-24)10-5-12-23(21(22)26)15-18-6-4-7-19(14-18)27-3/h4,6-7,14,17H,5,8-13,15-16H2,1-3H3
InChIKeyINGDEQFBKQRWKD-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.47
Rot. Bonds6

About 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45226503) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45226503
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCCC3(CCN(C(=O)CCC(C)C)C3)C2=O)c1
InChIInChI=1S/C22H32N2O3/c1-17(2)8-9-20(25)24-13-11-22(16-24)10-5-12-23(21(22)26)15-18-6-4-7-19(14-18)27-3/h4,6-7,14,17H,5,8-13,15-16H2,1-3H3
InChIKeyINGDEQFBKQRWKD-UHFFFAOYSA-N
XLogP3.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
2-(3-methylbutanoyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45198587
(5R)-7-[(3-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42511203
(5S)-7-[(3-methoxyphenyl)methyl]-6-oxo-N-prop-2-enyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26320528
N-butyl-7-[(3-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45212624
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699
2-butanoyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45179241
2-[(3-fluorophenyl)methyl]-9-(3-methoxypropanoyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075130
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373946
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373943
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373948

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45226503) is 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCCC3(CCN(C(=O)CCC(C)C)C3)C2=O)c1.
What is the InChIKey of 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is INGDEQFBKQRWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17(2)8-9-20(25)24-13-11-22(16-24)10-5-12-23(21(22)26)15-18-6-4-7-19(14-18)27-3/h4,6-7,14,17H,5,8-13,15-16H2,1-3H3.
What are the key properties of 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 372.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45226503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).