cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone

C19H25FN2O — CID 97396970

IUPACcyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CC1)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O/c20-17-6-2-15(3-7-17)14-22-11-1-8-19(22)9-12-21(13-10-19)18(23)16-4-5-16/h2-3,6-7,16H,1,4-5,8-14H2
InChIKeyLOCICKIWMOOPHG-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.19
Rot. Bonds3

About cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone

cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97396970) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97396970
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Namecyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESO=C(C1CC1)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H25FN2O/c20-17-6-2-15(3-7-17)14-22-11-1-8-19(22)9-12-21(13-10-19)18(23)16-4-5-16/h2-3,6-7,16H,1,4-5,8-14H2
InChIKeyLOCICKIWMOOPHG-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97396364
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 97493619
[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]-[(2R)-oxolan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155868249
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
CID 97409300
8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881325
2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone
CID 131679577
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 97451330
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1-[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]butan-1-one
CID 155900811
8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70723113
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822
cyclopropyl-[2-[(4-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450466

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97396970) is cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone is O=C(C1CC1)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1.
What is the InChIKey of cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is LOCICKIWMOOPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-17-6-2-15(3-7-17)14-22-11-1-8-19(22)9-12-21(13-10-19)18(23)16-4-5-16/h2-3,6-7,16H,1,4-5,8-14H2.
What are the key properties of cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone?
cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 316.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97396970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).