(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

C19H26N2O4 — CID 97115699

IUPAC(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)c1
InChIInChI=1S/C19H26N2O4/c1-25-16-5-2-4-15(12-16)13-17(23)21-9-7-19(14-21)6-3-8-20(10-11-22)18(19)24/h2,4-5,12,22H,3,6-11,13-14H2,1H3/t19-/m1/s1
InChIKeyMMAMMXSXOKPZER-LJQANCHMSA-N
MW346.43 g/mol
LogP1.07
Rot. Bonds5

About (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97115699) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97115699
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)c1
InChIInChI=1S/C19H26N2O4/c1-25-16-5-2-4-15(12-16)13-17(23)21-9-7-19(14-21)6-3-8-20(10-11-22)18(19)24/h2,4-5,12,22H,3,6-11,13-14H2,1H3/t19-/m1/s1
InChIKeyMMAMMXSXOKPZER-LJQANCHMSA-N
XLogP1.07
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
7-[(3-methoxyphenyl)methyl]-2-(4-methylpentanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226503
(5S)-7-(2,2-dimethylpropyl)-2-[2-(4-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25384367
8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131662405
(5R)-7-(2-hydroxyethyl)-2-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97143697
(5R)-7-[(3-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42511203
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
(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
7-(2-methoxyethyl)-2-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226456
2-[2-(3-chlorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938057
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one (CID 97115699) is (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CC(=O)N2CC[C@]3(CCCN(CCO)C3=O)C2)c1.
What is the InChIKey of (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MMAMMXSXOKPZER-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-25-16-5-2-4-15(12-16)13-17(23)21-9-7-19(14-21)6-3-8-20(10-11-22)18(19)24/h2,4-5,12,22H,3,6-11,13-14H2,1H3/t19-/m1/s1.
What are the key properties of (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 346.43 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97115699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).