(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one

C22H31N3O3 — CID 134714584

IUPAC(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C)CC3)C2)OCC(=O)N1C
InChIInChI=1S/C22H31N3O3/c1-16-6-4-5-7-17(16)19-20(28-14-18(26)24(19)3)21(27)25-13-10-22(15-25)8-11-23(2)12-9-22/h4-7,19-20H,8-15H2,1-3H3/t19-,20+/m1/s1
InChIKeySDQOUIQNCCZKQD-UXHICEINSA-N
MW385.51 g/mol
LogP1.84
Rot. Bonds2

About (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one

(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one (PubChem CID 134714584) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one
PubChem CID134714584
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one
SMILESCc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C)CC3)C2)OCC(=O)N1C
InChIInChI=1S/C22H31N3O3/c1-16-6-4-5-7-17(16)19-20(28-14-18(26)24(19)3)21(27)25-13-10-22(15-25)8-11-23(2)12-9-22/h4-7,19-20H,8-15H2,1-3H3/t19-,20+/m1/s1
InChIKeySDQOUIQNCCZKQD-UXHICEINSA-N
XLogP1.84
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one with MolForge

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Related Compounds

N-ethyl-1'-(2-methylbenzyl)-N-(tetrahydro-2-furanylmethyl)-1,4'-bipiperidine-4-carboxamide
CID 24793902
2,4-Dibenzyl-morpholin-3-one
CID 10468932
2-(4-Benzylpiperidine-1-carbonyl)-4-cyclopropyl-3-phenylmorpholine
CID 124075432
4-Cyclopropyl-N-[(2-methylphenyl)methyl]-3-phenylmorpholine-2-carboxamide
CID 124075434
(6S)-2-benzyl-8-(2-propan-2-yloxyacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95893606
4-Methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 122199169
N-(1-Benzylpiperidin-4-YL)-4-methyl-3-phenylmorpholine-2-carboxamide
CID 124068797
(4-benzylpiperazin-1-yl)-[(2R,3S)-4-methyl-3-phenylmorpholin-2-yl]methanone
CID 124075418
4-Methyl-2-[4-(pentan-3-YL)piperazine-1-carbonyl]-3-phenylmorpholine
CID 132334733
4-Benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
CID 67538148
(S)-4-Benzyl-2-(4-fluoro-benzyl)-5-methyl-morpholin-3-one
CID 67538151
(5S)-4-benzyl-2-[(4-fluorophenyl)methyl]-5-methylmorpholin-3-one
CID 70861716

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one?
The IUPAC name of (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one (CID 134714584) is (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one is Cc1ccccc1[C@@H]1[C@@H](C(=O)N2CCC3(CCN(C)CC3)C2)OCC(=O)N1C.
What is the InChIKey of (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one?
The InChIKey is SDQOUIQNCCZKQD-UXHICEINSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-16-6-4-5-7-17(16)19-20(28-14-18(26)24(19)3)21(27)25-13-10-22(15-25)8-11-23(2)12-9-22/h4-7,19-20H,8-15H2,1-3H3/t19-,20+/m1/s1.
What are the key properties of (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one?
(5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one has a molecular weight of 385.51 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-4-methyl-6-(8-methyl-2,8-diazaspiro[4.5]decane-2-carbonyl)-5-(2-methylphenyl)morpholin-3-one is sourced from PubChem (CID 134714584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).