(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C20H28N2O4 — CID 97374541

IUPAC(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1CO[C@@]2(COCCN(CC3CCOCC3)C2)CN1c1ccccc1
InChIInChI=1S/C20H28N2O4/c23-19-13-26-20(15-22(19)18-4-2-1-3-5-18)14-21(8-11-25-16-20)12-17-6-9-24-10-7-17/h1-5,17H,6-16H2/t20-/m1/s1
InChIKeyXLXZNKXTQQTXEU-HXUWFJFHSA-N
MW360.45 g/mol
LogP1.55
Rot. Bonds3

About (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 97374541) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID97374541
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1CO[C@@]2(COCCN(CC3CCOCC3)C2)CN1c1ccccc1
InChIInChI=1S/C20H28N2O4/c23-19-13-26-20(15-22(19)18-4-2-1-3-5-18)14-21(8-11-25-16-20)12-17-6-9-24-10-7-17/h1-5,17H,6-16H2/t20-/m1/s1
InChIKeyXLXZNKXTQQTXEU-HXUWFJFHSA-N
XLogP1.55
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

8-(oxan-4-ylmethyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155854448
8-(cyclopropylmethyl)-4-(furan-3-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131644336
(6S)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374532
(6R)-8-[(4-fluorophenyl)methyl]-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374531
(6S)-4-phenyl-8-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374524
(6S)-8-ethylsulfonyl-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374543
4-phenyl-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155850213
4-phenyl-8-(pyrrolidine-1-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118739369
8-(1H-imidazole-5-carbonyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118743375
(6S)-8-cyclopropylsulfonyl-4-(4-fluorophenyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 97374583
4-(3-fluorophenyl)-8-(pyridin-4-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131659019
4-(cyclopropylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131652382

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 97374541) is (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C1CO[C@@]2(COCCN(CC3CCOCC3)C2)CN1c1ccccc1.
What is the InChIKey of (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is XLXZNKXTQQTXEU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N2O4/c23-19-13-26-20(15-22(19)18-4-2-1-3-5-18)14-21(8-11-25-16-20)12-17-6-9-24-10-7-17/h1-5,17H,6-16H2/t20-/m1/s1.
What are the key properties of (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
(6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 360.45 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(oxan-4-ylmethyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 97374541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).