(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide

C19H26FN3O2 — CID 3234584

IUPAC(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H26FN3O2/c1-14(2)21-18(25)23-10-8-19(13-23)7-4-9-22(12-19)17(24)15-5-3-6-16(20)11-15/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyBNJABVJYPJSROP-LJQANCHMSA-N
MW347.43 g/mol
LogP2.87
Rot. Bonds2

About (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234584) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234584
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H26FN3O2/c1-14(2)21-18(25)23-10-8-19(13-23)7-4-9-22(12-19)17(24)15-5-3-6-16(20)11-15/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,21,25)/t19-/m1/s1
InChIKeyBNJABVJYPJSROP-LJQANCHMSA-N
XLogP2.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-9-(4-methoxybenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234426
2-[2-(3-fluorobenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]-N-methylacetamide
CID 97393813
(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
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3-fluorophenyl)-(8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 97385423
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3235333
(5R)-7-(3-methoxybenzoyl)-2-methyl-3-oxo-N-propan-2-yl-2,7,10-triazaspiro[4.6]undecane-10-carboxamide
CID 97439009
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
(3R)-1-(3-fluorobenzoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92579909

Frequently Asked Questions

What is the IUPAC name of (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234584) is (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide is CC(C)NC(=O)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is BNJABVJYPJSROP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14(2)21-18(25)23-10-8-19(13-23)7-4-9-22(12-19)17(24)15-5-3-6-16(20)11-15/h3,5-6,11,14H,4,7-10,12-13H2,1-2H3,(H,21,25)/t19-/m1/s1.
What are the key properties of (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-(3-fluorobenzoyl)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).