4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide

C21H30FN3O2 — CID 56747786

IUPAC4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
SMILESCN1CCCC2(CC1)CCN(C(=O)CCNC(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C21H30FN3O2/c1-24-13-2-8-21(9-14-24)10-15-25(16-11-21)19(26)7-12-23-20(27)17-3-5-18(22)6-4-17/h3-6H,2,7-16H2,1H3,(H,23,27)
InChIKeyCLGNHMZURZYISI-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.67
Rot. Bonds4

About 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide

4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide (PubChem CID 56747786) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
PubChem CID56747786
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC Name4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide
SMILESCN1CCCC2(CC1)CCN(C(=O)CCNC(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C21H30FN3O2/c1-24-13-2-8-21(9-14-24)10-15-25(16-11-21)19(26)7-12-23-20(27)17-3-5-18(22)6-4-17/h3-6H,2,7-16H2,1H3,(H,23,27)
InChIKeyCLGNHMZURZYISI-UHFFFAOYSA-N
XLogP2.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide with MolForge

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Related Compounds

4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-fluoro-N-[3-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-oxopropyl]benzamide
CID 135094171
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
N-[3-[3-[(dimethylamino)methyl]-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-oxopropyl]-4-fluorobenzamide
CID 172662874
4-fluoro-N-[3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]benzamide
CID 119489602
N-[3-[(1R,5S)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]-4-fluorobenzamide
CID 56887303
4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
CID 70788911
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
4-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157100
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide (CID 56747786) is 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide is CN1CCCC2(CC1)CCN(C(=O)CCNC(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide?
The InChIKey is CLGNHMZURZYISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-24-13-2-8-21(9-14-24)10-15-25(16-11-21)19(26)7-12-23-20(27)17-3-5-18(22)6-4-17/h3-6H,2,7-16H2,1H3,(H,23,27).
What are the key properties of 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide?
4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide has a molecular weight of 375.49 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)-3-oxopropyl]benzamide is sourced from PubChem (CID 56747786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).