8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C26H39N3O3 — CID 130202919

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H39N3O3/c1-27(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-28(22-9-17-32-18-10-22)23(30)29(24)20-25(31)11-6-12-25/h3-5,7-8,22,31H,6,9-20H2,1-2H3
InChIKeyBPUVTUDBSKCQPP-UHFFFAOYSA-N
MW441.62 g/mol
LogP3.59
Rot. Bonds5

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202919) has the molecular formula C26H39N3O3 and a molecular weight of 441.62 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202919
Molecular FormulaC26H39N3O3
Molecular Weight441.62 g/mol
Exact Mass441.30
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H39N3O3/c1-27(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-28(22-9-17-32-18-10-22)23(30)29(24)20-25(31)11-6-12-25/h3-5,7-8,22,31H,6,9-20H2,1-2H3
InChIKeyBPUVTUDBSKCQPP-UHFFFAOYSA-N
XLogP3.59
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1159
CID 130200530
US10807989, Example SC_1062
CID 130200577
US10807989, Example SC_1301
CID 130200602
US10807989, Example SC_1303
CID 130200610
US10807989, Example SC_1063
CID 130200643
US10807989, Example SC_1320
CID 130200663
US10807989, Example SC_1304
CID 130200696
US10807989, Example SC_1355
CID 130200710
US10807989, Example SC_1209
CID 130200758

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202919) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCOCC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is BPUVTUDBSKCQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N3O3/c1-27(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-28(22-9-17-32-18-10-22)23(30)29(24)20-25(31)11-6-12-25/h3-5,7-8,22,31H,6,9-20H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 441.62 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(oxan-4-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).