(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

C20H26N2O3 — CID 97469703

IUPAC(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@H](c2ccccc2)C2(CCN(C(=O)C3CCOCC3)CC2)N1
InChIInChI=1S/C20H26N2O3/c23-18-14-17(15-4-2-1-3-5-15)20(21-18)8-10-22(11-9-20)19(24)16-6-12-25-13-7-16/h1-5,16-17H,6-14H2,(H,21,23)/t17-/m1/s1
InChIKeyPDBDMKRXIWTSII-QGZVFWFLSA-N
MW342.44 g/mol
LogP2.08
Rot. Bonds2

About (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one

(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469703) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469703
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1C[C@H](c2ccccc2)C2(CCN(C(=O)C3CCOCC3)CC2)N1
InChIInChI=1S/C20H26N2O3/c23-18-14-17(15-4-2-1-3-5-15)20(21-18)8-10-22(11-9-20)19(24)16-6-12-25-13-7-16/h1-5,16-17H,6-14H2,(H,21,23)/t17-/m1/s1
InChIKeyPDBDMKRXIWTSII-QGZVFWFLSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylpyrazol-4-yl)-8-(oxane-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131660171
(4R)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470037
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776
(4R)-8-(oxan-4-ylmethyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97384049
8-(2-methylfuran-3-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 134074647
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
4-phenyl-8-(pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155844440
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
oxan-4-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162633951
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one (CID 97469703) is (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)C3CCOCC3)CC2)N1.
What is the InChIKey of (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PDBDMKRXIWTSII-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-18-14-17(15-4-2-1-3-5-15)20(21-18)8-10-22(11-9-20)19(24)16-6-12-25-13-7-16/h1-5,16-17H,6-14H2,(H,21,23)/t17-/m1/s1.
What are the key properties of (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one?
(4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(oxane-4-carbonyl)-4-phenyl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).