(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C23H25ClN2O3 — CID 125015862

IUPAC(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1CO[C@@]2(CCCN(C(=O)c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H25ClN2O3/c24-20-9-7-19(8-10-20)22(28)25-13-4-11-23(12-14-25)17-26(21(27)16-29-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2/t23-/m1/s1
InChIKeyWWQNFKIUFNYLMT-HSZRJFAPSA-N
MW412.92 g/mol
LogP3.76
Rot. Bonds3

About (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 125015862) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID125015862
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC Name(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1CO[C@@]2(CCCN(C(=O)c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C23H25ClN2O3/c24-20-9-7-19(8-10-20)22(28)25-13-4-11-23(12-14-25)17-26(21(27)16-29-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2/t23-/m1/s1
InChIKeyWWQNFKIUFNYLMT-HSZRJFAPSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

(6S)-4-benzyl-10-[3-(imidazol-1-ylmethyl)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454495
4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984327
11-benzyl-3-(thiophene-3-carbonyl)-7-oxa-3,11-diazaspiro[5.6]dodecan-10-one
CID 155502645
(6S)-10-[6-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125007610
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
9-[2-(4-chlorophenyl)acetyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986070
9-(pyridine-4-carbonyl)-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;bis(2,2,2-trifluoroacetic acid)
CID 155829047
(5S)-3-benzyl-9-[2-(pyrrolidin-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124977860
(5S)-3-benzyl-9-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124961420
10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110148465
(4-chlorophenyl)-(3-phenyl-1-oxa-9-azaspiro[4.5]dec-2-en-9-yl)methanone
CID 71662629
(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129456932

Frequently Asked Questions

What is the IUPAC name of (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 125015862) is (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1CO[C@@]2(CCCN(C(=O)c3ccc(Cl)cc3)CC2)CN1Cc1ccccc1.
What is the InChIKey of (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is WWQNFKIUFNYLMT-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c24-20-9-7-19(8-10-20)22(28)25-13-4-11-23(12-14-25)17-26(21(27)16-29-23)15-18-5-2-1-3-6-18/h1-3,5-10H,4,11-17H2/t23-/m1/s1.
What are the key properties of (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 412.92 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 125015862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).