N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide

C18H24FN3O4 — CID 95728332

IUPACN-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
SMILESO=C(NCCC(=O)N1CCO[C@@]2(CNCCOC2)C1)c1ccccc1F
InChIInChI=1S/C18H24FN3O4/c19-15-4-2-1-3-14(15)17(24)21-6-5-16(23)22-8-10-26-18(12-22)11-20-7-9-25-13-18/h1-4,20H,5-13H2,(H,21,24)/t18-/m0/s1
InChIKeyGSOFEPYFJLSHOP-SFHVURJKSA-N
MW365.41 g/mol
LogP0.16
Rot. Bonds4

About N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide

N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide (PubChem CID 95728332) has the molecular formula C18H24FN3O4 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
PubChem CID95728332
Molecular FormulaC18H24FN3O4
Molecular Weight365.41 g/mol
Exact Mass365.18
IUPAC NameN-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
SMILESO=C(NCCC(=O)N1CCO[C@@]2(CNCCOC2)C1)c1ccccc1F
InChIInChI=1S/C18H24FN3O4/c19-15-4-2-1-3-14(15)17(24)21-6-5-16(23)22-8-10-26-18(12-22)11-20-7-9-25-13-18/h1-4,20H,5-13H2,(H,21,24)/t18-/m0/s1
InChIKeyGSOFEPYFJLSHOP-SFHVURJKSA-N
XLogP0.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide with MolForge

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Related Compounds

2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 56884581
1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
CID 95706811
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-(2-methoxyphenoxy)-2-methylpropan-1-one
CID 56882429
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 95718325
(2-chloro-5-pyrazol-1-ylphenyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95728254
2-fluoro-N-[3-(2-morpholin-4-ylethylamino)-3-oxopropyl]benzamide
CID 46993248
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
(2,6-dimethoxy-3-pyridinyl)-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95729959
N-[3-(2,2-dimethylmorpholin-4-yl)-3-oxopropyl]-2-phenylacetamide
CID 86981316
2-fluoro-N-[3-oxo-3-(3-propylmorpholin-4-yl)propyl]benzamide
CID 46983091

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide?
The IUPAC name of N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide (CID 95728332) is N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide.
What is the SMILES notation for N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide?
The canonical SMILES for N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide is O=C(NCCC(=O)N1CCO[C@@]2(CNCCOC2)C1)c1ccccc1F.
What is the InChIKey of N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide?
The InChIKey is GSOFEPYFJLSHOP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24FN3O4/c19-15-4-2-1-3-14(15)17(24)21-6-5-16(23)22-8-10-26-18(12-22)11-20-7-9-25-13-18/h1-4,20H,5-13H2,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide?
N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide has a molecular weight of 365.41 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide is sourced from PubChem (CID 95728332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).