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

C19H26N2O3 — CID 42154935

IUPAC(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1
InChIInChI=1S/C19H26N2O3/c1-3-17(22)21-11-9-19(14-21)8-5-10-20(18(19)23)13-15-6-4-7-16(12-15)24-2/h4,6-7,12H,3,5,8-11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyDVKUSJWRVXBOQU-IBGZPJMESA-N
MW330.43 g/mol
LogP2.45
Rot. Bonds4

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

(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42154935) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42154935
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1
InChIInChI=1S/C19H26N2O3/c1-3-17(22)21-11-9-19(14-21)8-5-10-20(18(19)23)13-15-6-4-7-16(12-15)24-2/h4,6-7,12H,3,5,8-11,13-14H2,1-2H3/t19-/m0/s1
InChIKeyDVKUSJWRVXBOQU-IBGZPJMESA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226503
N-butyl-7-[(3-methoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 45212624
(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
(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
(5S)-2-[(3-methoxyphenyl)methyl]-7-(pyridazine-4-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373946
2-(3-methylbutanoyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45198587
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
2-(2-butoxyacetyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119060112

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one (CID 42154935) is (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one is CCC(=O)N1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2=O)C1.
What is the InChIKey of (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DVKUSJWRVXBOQU-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-17(22)21-11-9-19(14-21)8-5-10-20(18(19)23)13-15-6-4-7-16(12-15)24-2/h4,6-7,12H,3,5,8-11,13-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 330.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42154935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).