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

C27H42N4O3 — CID 130202884

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCN1CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H42N4O3/c1-28(2)27(23-7-4-3-5-8-23)13-11-25(12-14-27)21-30(16-15-29-17-19-34-20-18-29)24(32)31(25)22-26(33)9-6-10-26/h3-5,7-8,33H,6,9-22H2,1-2H3
InChIKeyMBUJJYVHBXDHML-UHFFFAOYSA-N
MW470.66 g/mol
LogP2.74
Rot. Bonds7

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202884) has the molecular formula C27H42N4O3 and a molecular weight of 470.66 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202884
Molecular FormulaC27H42N4O3
Molecular Weight470.66 g/mol
Exact Mass470.33
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CCN1CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H42N4O3/c1-28(2)27(23-7-4-3-5-8-23)13-11-25(12-14-27)21-30(16-15-29-17-19-34-20-18-29)24(32)31(25)22-26(33)9-6-10-26/h3-5,7-8,33H,6,9-22H2,1-2H3
InChIKeyMBUJJYVHBXDHML-UHFFFAOYSA-N
XLogP2.74
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.66
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10807989, Example SC_1345
CID 130200483
US10807989, Example SC_1359
CID 130200636
US10807989, Example SC_1319
CID 130200476
US10807989, Example SC_1172
CID 130200494
US10807989, Example SC_1318
CID 130200507
US10807989, Example SC_1302
CID 130200509
US10807989, Example SC_1159
CID 130200530
US10807989, Example SC_1358
CID 130200540
US10807989, Example SC_1219
CID 130200554
US10807989, Example SC_1019
CID 130200564
US10807989, Example SC_1062
CID 130200577
US10807989, Example SC_1357
CID 130200582

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202884) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-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-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCN1CCOCC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is MBUJJYVHBXDHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N4O3/c1-28(2)27(23-7-4-3-5-8-23)13-11-25(12-14-27)21-30(16-15-29-17-19-34-20-18-29)24(32)31(25)22-26(33)9-6-10-26/h3-5,7-8,33H,6,9-22H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-morpholin-4-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 470.66 g/mol, XLogP of 2.74, 7 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-ylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).