(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C27H33N3O4 — CID 129456932

IUPAC(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1O[C@@]2(CCCN(C(=O)c3ccccc3CN3CCOCC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C27H33N3O4/c31-25(24-10-5-4-9-23(24)20-28-15-17-33-18-16-28)29-13-6-11-27(12-14-29)21-30(26(32)34-27)19-22-7-2-1-3-8-22/h1-5,7-10H,6,11-21H2/t27-/m1/s1
InChIKeyNMQCQLQXWAIZSJ-HHHXNRCGSA-N
MW463.58 g/mol
LogP3.54
Rot. Bonds5

About (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 129456932) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID129456932
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1O[C@@]2(CCCN(C(=O)c3ccccc3CN3CCOCC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C27H33N3O4/c31-25(24-10-5-4-9-23(24)20-28-15-17-33-18-16-28)29-13-6-11-27(12-14-29)21-30(26(32)34-27)19-22-7-2-1-3-8-22/h1-5,7-10H,6,11-21H2/t27-/m1/s1
InChIKeyNMQCQLQXWAIZSJ-HHHXNRCGSA-N
XLogP3.54
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-3-benzyl-9-[2-(pyrrolidin-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124977860
(5S)-3-benzyl-7-[2-(2-morpholin-4-ylethoxy)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129455124
3-benzyl-8-(2,3-difluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66901855
8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698
(5R)-3-benzyl-7-(2,2-diphenylacetyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125003734
(5S)-3-benzyl-9-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 124961420
(5R)-3-[(4-fluorophenyl)methyl]-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 129459136
3-benzyl-7-[4-(4-chlorophenyl)oxane-4-carbonyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 110148619
(5R)-3-(4-chlorophenyl)-9-[2-(imidazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 129457548
8-(2,3-dimethylbenzoyl)-3-[(3,5-dimethylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66902227
3-(4-fluorophenyl)-9-[2-(imidazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 110151906
3-benzyl-7-[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 132773198

Frequently Asked Questions

What is the IUPAC name of (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 129456932) is (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1O[C@@]2(CCCN(C(=O)c3ccccc3CN3CCOCC3)CC2)CN1Cc1ccccc1.
What is the InChIKey of (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is NMQCQLQXWAIZSJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H33N3O4/c31-25(24-10-5-4-9-23(24)20-28-15-17-33-18-16-28)29-13-6-11-27(12-14-29)21-30(26(32)34-27)19-22-7-2-1-3-8-22/h1-5,7-10H,6,11-21H2/t27-/m1/s1.
What are the key properties of (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 463.58 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-benzyl-9-[2-(morpholin-4-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 129456932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).