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

C26H40N4O2 — CID 130202975

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCNCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H40N4O2/c1-28(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-29(22-9-17-27-18-10-22)23(31)30(24)20-25(32)11-6-12-25/h3-5,7-8,22,27,32H,6,9-20H2,1-2H3
InChIKeyYOXOWHRQCZIGOY-UHFFFAOYSA-N
MW440.63 g/mol
LogP3.16
Rot. Bonds5

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202975) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202975
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCNCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C26H40N4O2/c1-28(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-29(22-9-17-27-18-10-22)23(31)30(24)20-25(32)11-6-12-25/h3-5,7-8,22,27,32H,6,9-20H2,1-2H3
InChIKeyYOXOWHRQCZIGOY-UHFFFAOYSA-N
XLogP3.16
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10793528, Example SC_5069
CID 130200865
US10807989, Example SC_1177
CID 130200460
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N,N-dimethyl-acetamide
CID 130200462
US10807989, Example SC_1005
CID 130200463
CIS-2-[[2-[1-(Cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-acetyl]amino]-N-methyl-acetamide
CID 130200473
US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1143
CID 130200478
US10807989, Example SC_1228
CID 130200490
US10807989, Example SC_1139
CID 130200491
US10807989, Example SC_1130
CID 130200492
US10807989, Example SC_1172
CID 130200494
US10807989, Example SC_1318
CID 130200507

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one (CID 130202975) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCNCC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YOXOWHRQCZIGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-28(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-29(22-9-17-27-18-10-22)23(31)30(24)20-25(32)11-6-12-25/h3-5,7-8,22,27,32H,6,9-20H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 440.63 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-piperidin-4-yl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).