prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C19H25FN2O2 — CID 89026585

IUPACprop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESC=C(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(F)cc1)CC2
InChIInChI=1S/C19H25FN2O2/c1-15(2)24-18(23)22-13-9-19(10-14-22)7-11-21(12-8-19)17-5-3-16(20)4-6-17/h3-6H,1,7-14H2,2H3
InChIKeyYPRFEZSYJZXSPR-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.18
Rot. Bonds2

About prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 89026585) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID89026585
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Nameprop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESC=C(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(F)cc1)CC2
InChIInChI=1S/C19H25FN2O2/c1-15(2)24-18(23)22-13-9-19(10-14-22)7-11-21(12-8-19)17-5-3-16(20)4-6-17/h3-6H,1,7-14H2,2H3
InChIKeyYPRFEZSYJZXSPR-UHFFFAOYSA-N
XLogP4.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
tert-butyl 9-(4-hydroxyphenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 170979647
prop-1-en-2-yl 4-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]piperazine-1-carboxylate
CID 163057532
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(8-azaspiro[4.5]decan-8-yl)phenyl]ethanone
CID 63158848
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
8-(4-fluorophenyl)-2,8-diazaspiro[4.5]decane
CID 59505678
ethyl 1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 12834315
4-(4-fluorophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 59527745

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 89026585) is prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is C=C(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(F)cc1)CC2.
What is the InChIKey of prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is YPRFEZSYJZXSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-15(2)24-18(23)22-13-9-19(10-14-22)7-11-21(12-8-19)17-5-3-16(20)4-6-17/h3-6H,1,7-14H2,2H3.
What are the key properties of prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 332.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl 9-(4-fluorophenyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 89026585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).