(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one

C21H28N2O3 — CID 97109908

IUPAC(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccccc1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C21H28N2O3/c24-19(15-17-5-2-1-3-6-17)22-12-10-21(16-22)9-4-11-23(20(21)25)18-7-13-26-14-8-18/h1-3,5-6,18H,4,7-16H2/t21-/m1/s1
InChIKeyDQBKMUMQAWVFPN-OAQYLSRUSA-N
MW356.47 g/mol
LogP2.25
Rot. Bonds3

About (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97109908) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97109908
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(Cc1ccccc1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1
InChIInChI=1S/C21H28N2O3/c24-19(15-17-5-2-1-3-6-17)22-12-10-21(16-22)9-4-11-23(20(21)25)18-7-13-26-14-8-18/h1-3,5-6,18H,4,7-16H2/t21-/m1/s1
InChIKeyDQBKMUMQAWVFPN-OAQYLSRUSA-N
XLogP2.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1H-imidazol-5-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844359
(5S)-2-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97139032
(5S)-2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147920
(5S)-7-cyclohexyl-2-(2-pyridin-2-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120073
5-[(5R)-7-(oxan-4-yl)-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-1,2-oxazol-3-one
CID 97110294
(5S)-2-(5-ethyl-1H-pyrrole-2-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97127244
(5S)-7-cyclohexyl-2-(oxane-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97120893
(5S)-2-(2-methylfuran-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97142794
2-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72841848
7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72838415
2-(5-methyl-1,2-oxazole-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913600
(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119315

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97109908) is (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(Cc1ccccc1)N1CC[C@]2(CCCN(C3CCOCC3)C2=O)C1.
What is the InChIKey of (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is DQBKMUMQAWVFPN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19(15-17-5-2-1-3-6-17)22-12-10-21(16-22)9-4-11-23(20(21)25)18-7-13-26-14-8-18/h1-3,5-6,18H,4,7-16H2/t21-/m1/s1.
What are the key properties of (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.47 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97109908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).