2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide

C19H26FN3O2 — CID 97393813

IUPAC2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2(CCCN(C(=O)c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-17(24)13-22-10-7-19(8-11-22)6-3-9-23(14-19)18(25)15-4-2-5-16(20)12-15/h2,4-5,12H,3,6-11,13-14H2,1H3,(H,21,24)
InChIKeyDYEKWJFKOCCNNI-UHFFFAOYSA-N
MW347.43 g/mol
LogP1.89
Rot. Bonds3

About 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide

2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide (PubChem CID 97393813) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
PubChem CID97393813
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2(CCCN(C(=O)c3cccc(F)c3)C2)CC1
InChIInChI=1S/C19H26FN3O2/c1-21-17(24)13-22-10-7-19(8-11-22)6-3-9-23(14-19)18(25)15-4-2-5-16(20)12-15/h2,4-5,12H,3,6-11,13-14H2,1H3,(H,21,24)
InChIKeyDYEKWJFKOCCNNI-UHFFFAOYSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(thiophene-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97393811
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234584
(3-fluorophenyl)-[2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 3233984
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-propylacetamide
CID 34815059
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
2-[4-(3-bromobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 47110866
N-methyl-2-[2-(oxolane-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 131697076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide (CID 97393813) is 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide is CNC(=O)CN1CCC2(CCCN(C(=O)c3cccc(F)c3)C2)CC1.
What is the InChIKey of 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
The InChIKey is DYEKWJFKOCCNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-21-17(24)13-22-10-7-19(8-11-22)6-3-9-23(14-19)18(25)15-4-2-5-16(20)12-15/h2,4-5,12H,3,6-11,13-14H2,1H3,(H,21,24).
What are the key properties of 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide?
2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide has a molecular weight of 347.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide is sourced from PubChem (CID 97393813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).