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

C21H31N3O2 — CID 130200737

IUPAC8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1(O)CCC1
InChIInChI=1S/C21H31N3O2/c1-23(2)21(17-7-4-3-5-8-17)13-11-19(12-14-21)15-22-18(25)24(19)16-20(26)9-6-10-20/h3-5,7-8,26H,6,9-16H2,1-2H3,(H,22,25)
InChIKeyXRFKVYZQKLANJF-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.70
Rot. Bonds4

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

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130200737) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130200737
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1(O)CCC1
InChIInChI=1S/C21H31N3O2/c1-23(2)21(17-7-4-3-5-8-17)13-11-19(12-14-21)15-22-18(25)24(19)16-20(26)9-6-10-20/h3-5,7-8,26H,6,9-16H2,1-2H3,(H,22,25)
InChIKeyXRFKVYZQKLANJF-UHFFFAOYSA-N
XLogP2.70
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130200737) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2CC1(O)CCC1.
What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is XRFKVYZQKLANJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-23(2)21(17-7-4-3-5-8-17)13-11-19(12-14-21)15-22-18(25)24(19)16-20(26)9-6-10-20/h3-5,7-8,26H,6,9-16H2,1-2H3,(H,22,25).
What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 357.50 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130200737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).