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

C29H44N4O4 — CID 130200710

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C)(O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H44N4O4/c1-26(36)16-18-31(19-17-26)24(34)20-32-21-27(33(25(32)35)22-28(37)10-7-11-28)12-14-29(15-13-27,30(2)3)23-8-5-4-6-9-23/h4-6,8-9,36-37H,7,10-22H2,1-3H3
InChIKeyJRSCGGMBUTXLCA-UHFFFAOYSA-N
MW512.70 g/mol
LogP2.78
Rot. Bonds6

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200710) has the molecular formula C29H44N4O4 and a molecular weight of 512.70 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200710
Molecular FormulaC29H44N4O4
Molecular Weight512.70 g/mol
Exact Mass512.34
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C)(O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H44N4O4/c1-26(36)16-18-31(19-17-26)24(34)20-32-21-27(33(25(32)35)22-28(37)10-7-11-28)12-14-29(15-13-27,30(2)3)23-8-5-4-6-9-23/h4-6,8-9,36-37H,7,10-22H2,1-3H3
InChIKeyJRSCGGMBUTXLCA-UHFFFAOYSA-N
XLogP2.78
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.70
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1351
CID 130200493
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
CIS-N-(Carbamoyl-methyl)-2-[1-(cyclobutyl-methyl)-8-dimethylamino-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-acetamide
CID 130200475
US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1143
CID 130200478
US10807989, Example SC_1368
CID 130200485
US10807989, Example SC_1228
CID 130200490

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200710) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C)(O)CC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JRSCGGMBUTXLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N4O4/c1-26(36)16-18-31(19-17-26)24(34)20-32-21-27(33(25(32)35)22-28(37)10-7-11-28)12-14-29(15-13-27,30(2)3)23-8-5-4-6-9-23/h4-6,8-9,36-37H,7,10-22H2,1-3H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 512.70 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-(4-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).