8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C22H32N4O3 — CID 130200540

IUPAC8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2
InChIInChI=1S/C22H32N4O3/c1-24(2)22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)23-21)16-19(27)25-12-14-29-15-13-25/h3-7H,8-17H2,1-2H3,(H,23,28)
InChIKeySBRBGXDCOXYPPB-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.64
Rot. Bonds4

About 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200540) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200540
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2
InChIInChI=1S/C22H32N4O3/c1-24(2)22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)23-21)16-19(27)25-12-14-29-15-13-25/h3-7H,8-17H2,1-2H3,(H,23,28)
InChIKeySBRBGXDCOXYPPB-UHFFFAOYSA-N
XLogP1.64
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1352
CID 130200707
US10807989, Example SC_1349
CID 130200783
N-(Morpholinomethyl)phenytoin
CID 120407
4-(2-amino-2-oxoethyl)-N-[1-(3-isopropenylphenyl)-1-methylethyl]-1-piperazinecarboxamide
CID 753260
3-[3-(4-Benzhydrylpiperazin-1-yl)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 145986720
N-benzhydryl-2-morpholin-4-ylpropanamide
CID 16330511
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1360
CID 130200637
US10807989, Example SC_1356
CID 130200704
N-[2-[(2S,4R)-4-fluoro-2-[[(S)-[3-fluoro-4-(1-methylcyclopropyl)phenyl]-phenylmethyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]morpholine-4-carboxamide
CID 165139821
N-[2-[(2S,4R)-2-[[(S)-(4-cyclopropyl-3-fluorophenyl)-phenylmethyl]carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 165140776

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200540) is 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCOCC1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is SBRBGXDCOXYPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-24(2)22(18-6-4-3-5-7-18)10-8-21(9-11-22)17-26(20(28)23-21)16-19(27)25-12-14-29-15-13-25/h3-7H,8-17H2,1-2H3,(H,23,28).
What are the key properties of 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 400.52 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).