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

C27H41N3O4 — CID 130202958

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H41N3O4/c1-28(2)27(22-7-4-3-5-8-22)13-11-24(12-14-27)19-29(20-26(33)15-17-34-18-16-26)23(31)30(24)21-25(32)9-6-10-25/h3-5,7-8,32-33H,6,9-21H2,1-2H3
InChIKeyFRHBDQUSMWWTJQ-UHFFFAOYSA-N
MW471.64 g/mol
LogP2.95
Rot. Bonds6

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130202958) has the molecular formula C27H41N3O4 and a molecular weight of 471.64 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130202958
Molecular FormulaC27H41N3O4
Molecular Weight471.64 g/mol
Exact Mass471.31
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C27H41N3O4/c1-28(2)27(22-7-4-3-5-8-22)13-11-24(12-14-27)19-29(20-26(33)15-17-34-18-16-26)23(31)30(24)21-25(32)9-6-10-25/h3-5,7-8,32-33H,6,9-21H2,1-2H3
InChIKeyFRHBDQUSMWWTJQ-UHFFFAOYSA-N
XLogP2.95
TPSA76.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130202958) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1(O)CCOCC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FRHBDQUSMWWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O4/c1-28(2)27(22-7-4-3-5-8-22)13-11-24(12-14-27)19-29(20-26(33)15-17-34-18-16-26)23(31)30(24)21-25(32)9-6-10-25/h3-5,7-8,32-33H,6,9-21H2,1-2H3.
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 471.64 g/mol, XLogP of 2.95, 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-[(4-hydroxyoxan-4-yl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).