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

C27H40N4O4 — CID 130200507

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1
InChIInChI=1S/C27H40N4O4/c1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)20-30(19-23(32)29-15-17-35-18-16-29)24(33)31(25)21-26(34)9-6-10-26/h3-5,7-8,34H,6,9-21H2,1-2H3
InChIKeyZMDSSTJIPDJGSA-UHFFFAOYSA-N
MW484.64 g/mol
LogP2.27
Rot. Bonds6

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200507) has the molecular formula C27H40N4O4 and a molecular weight of 484.64 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200507
Molecular FormulaC27H40N4O4
Molecular Weight484.64 g/mol
Exact Mass484.30
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)N2CC1(O)CCC1
InChIInChI=1S/C27H40N4O4/c1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)20-30(19-23(32)29-15-17-35-18-16-29)24(33)31(25)21-26(34)9-6-10-26/h3-5,7-8,34H,6,9-21H2,1-2H3
InChIKeyZMDSSTJIPDJGSA-UHFFFAOYSA-N
XLogP2.27
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1346
CID 130200550
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1351
CID 130200493
US10807989, Example SC_1122
CID 130200450
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1368
CID 130200485
US10807989, Example SC_1139
CID 130200491
US10807989, Example SC_1172
CID 130200494
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1197
CID 130200526

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-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-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200507) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-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)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-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-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)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is ZMDSSTJIPDJGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O4/c1-28(2)27(22-7-4-3-5-8-22)13-11-25(12-14-27)20-30(19-23(32)29-15-17-35-18-16-29)24(33)31(25)21-26(34)9-6-10-26/h3-5,7-8,34H,6,9-21H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 484.64 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 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-morpholin-4-yl-2-oxoethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).