(7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one

C20H30FN3O2 — CID 146429990

IUPAC(7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one
SMILESCN(C)[C@@]1(c2cccc(F)c2)CCCNC(=O)N(CC2(O)CCC2)CC1
InChIInChI=1S/C20H30FN3O2/c1-23(2)20(16-6-3-7-17(21)14-16)10-5-12-22-18(25)24(13-11-20)15-19(26)8-4-9-19/h3,6-7,14,26H,4-5,8-13,15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyYPTIJACOTAKSNF-FQEVSTJZSA-N
MW363.48 g/mol
LogP2.69
Rot. Bonds4

About (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one

(7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one (PubChem CID 146429990) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one.

Molecular Properties

Compound Name(7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one
PubChem CID146429990
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Name(7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one
SMILESCN(C)[C@@]1(c2cccc(F)c2)CCCNC(=O)N(CC2(O)CCC2)CC1
InChIInChI=1S/C20H30FN3O2/c1-23(2)20(16-6-3-7-17(21)14-16)10-5-12-22-18(25)24(13-11-20)15-19(26)8-4-9-19/h3,6-7,14,26H,4-5,8-13,15H2,1-2H3,(H,22,25)/t20-/m0/s1
InChIKeyYPTIJACOTAKSNF-FQEVSTJZSA-N
XLogP2.69
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one?
The IUPAC name of (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one (CID 146429990) is (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one.
What is the SMILES notation for (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one?
The canonical SMILES for (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one is CN(C)[C@@]1(c2cccc(F)c2)CCCNC(=O)N(CC2(O)CCC2)CC1.
What is the InChIKey of (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one?
The InChIKey is YPTIJACOTAKSNF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30FN3O2/c1-23(2)20(16-6-3-7-17(21)14-16)10-5-12-22-18(25)24(13-11-20)15-19(26)8-4-9-19/h3,6-7,14,26H,4-5,8-13,15H2,1-2H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one?
(7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one has a molecular weight of 363.48 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(dimethylamino)-7-(3-fluorophenyl)-1-[(1-hydroxycyclobutyl)methyl]-1,3-diazonan-2-one is sourced from PubChem (CID 146429990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).