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

C21H31N3O2 — CID 140797736

IUPAC3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)N1CC2(CCC(c3ccccc3)CC2)N(CC2(O)CCC2)C1=O
InChIInChI=1S/C21H31N3O2/c1-22(2)24-15-20(23(19(24)25)16-21(26)11-6-12-21)13-9-18(10-14-20)17-7-4-3-5-8-17/h3-5,7-8,18,26H,6,9-16H2,1-2H3
InChIKeyYVLPPPZXKZQTQV-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.21
Rot. Bonds4

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

3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 140797736) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID140797736
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)N1CC2(CCC(c3ccccc3)CC2)N(CC2(O)CCC2)C1=O
InChIInChI=1S/C21H31N3O2/c1-22(2)24-15-20(23(19(24)25)16-21(26)11-6-12-21)13-9-18(10-14-20)17-7-4-3-5-8-17/h3-5,7-8,18,26H,6,9-16H2,1-2H3
InChIKeyYVLPPPZXKZQTQV-UHFFFAOYSA-N
XLogP3.21
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 140797736) is 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)N1CC2(CCC(c3ccccc3)CC2)N(CC2(O)CCC2)C1=O.
What is the InChIKey of 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YVLPPPZXKZQTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-22(2)24-15-20(23(19(24)25)16-21(26)11-6-12-21)13-9-18(10-14-20)17-7-4-3-5-8-17/h3-5,7-8,18,26H,6,9-16H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-(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 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 140797736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).