phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

C21H22FN3O3 — CID 3234315

IUPACphenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C21H22FN3O3/c22-16-5-4-6-17(13-16)23-19(26)25-14-21(15-25)9-11-24(12-10-21)20(27)28-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,23,26)
InChIKeyCMNWBIUNTXDEQB-UHFFFAOYSA-N
MW383.42 g/mol
LogP3.95
Rot. Bonds2

About phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate

phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 3234315) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID3234315
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Namephenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1
InChIInChI=1S/C21H22FN3O3/c22-16-5-4-6-17(13-16)23-19(26)25-14-21(15-25)9-11-24(12-10-21)20(27)28-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,23,26)
InChIKeyCMNWBIUNTXDEQB-UHFFFAOYSA-N
XLogP3.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(benzenesulfonyl)-N-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3233457
3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63145789
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
N-(3-fluorophenyl)-4,4-dimethylpiperazin-4-ium-1-carboxamide
CID 68939615
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17397265
(5R)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(3-fluorophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3235333
N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide
CID 50952630
phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3235523
7-methylsulfonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 3235269
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
CID 23071817

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate (CID 3234315) is phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is O=C(Nc1cccc(F)c1)N1CC2(CCN(C(=O)Oc3ccccc3)CC2)C1.
What is the InChIKey of phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is CMNWBIUNTXDEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-16-5-4-6-17(13-16)23-19(26)25-14-21(15-25)9-11-24(12-10-21)20(27)28-18-7-2-1-3-8-18/h1-8,13H,9-12,14-15H2,(H,23,26).
What are the key properties of phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate?
phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 383.42 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 3234315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).