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

C18H25N3O3 — CID 97117487

IUPAC(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCc1ccccn1)N1CC[C@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C18H25N3O3/c22-13-12-20-10-3-7-18(17(20)24)8-11-21(14-18)16(23)6-5-15-4-1-2-9-19-15/h1-2,4,9,22H,3,5-8,10-14H2/t18-/m1/s1
InChIKeyIHQSWCABUXLQCN-GOSISDBHSA-N
MW331.42 g/mol
LogP0.85
Rot. Bonds5

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

(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97117487) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97117487
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CCc1ccccn1)N1CC[C@]2(CCCN(CCO)C2=O)C1
InChIInChI=1S/C18H25N3O3/c22-13-12-20-10-3-7-18(17(20)24)8-11-21(14-18)16(23)6-5-15-4-1-2-9-19-15/h1-2,4,9,22H,3,5-8,10-14H2/t18-/m1/s1
InChIKeyIHQSWCABUXLQCN-GOSISDBHSA-N
XLogP0.85
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(5R)-7-(2-methoxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97114044
(5S)-7-(3-phenylpropyl)-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42197713
(5R)-2-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97151866
(5S)-7-(2-hydroxyethyl)-2-[3-(1H-indol-3-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97132579
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
(5R)-7-(2-hydroxyethyl)-2-[2-[2-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97143697
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
2-(pyridin-2-ylmethyl)-7-(4-thiophen-2-ylbutanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642803
7-(2-imidazol-1-ylacetyl)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506532
7-(2-phenylethyl)-2-[3-(tetrazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56904394
(5R)-7-(2-hydroxyethyl)-2-[2-(3-methoxyphenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115699

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97117487) is (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CCc1ccccn1)N1CC[C@]2(CCCN(CCO)C2=O)C1.
What is the InChIKey of (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IHQSWCABUXLQCN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-13-12-20-10-3-7-18(17(20)24)8-11-21(14-18)16(23)6-5-15-4-1-2-9-19-15/h1-2,4,9,22H,3,5-8,10-14H2/t18-/m1/s1.
What are the key properties of (5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-hydroxyethyl)-2-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 331.42 g/mol, XLogP of 0.85, 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-(3-pyridin-2-ylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97117487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).