1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one

C19H27FN2O — CID 97493619

IUPAC1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O/c1-15(2)18(23)21-12-9-19(10-13-21)8-3-11-22(19)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3
InChIKeyXBJRMHQLTVNNGR-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.44
Rot. Bonds3

About 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one

1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one (PubChem CID 97493619) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
PubChem CID97493619
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H27FN2O/c1-15(2)18(23)21-12-9-19(10-13-21)8-3-11-22(19)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3
InChIKeyXBJRMHQLTVNNGR-UHFFFAOYSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
2-methyl-1-[1-[(4-phenylphenyl)methyl]-1,7-diazaspiro[4.4]nonan-7-yl]propan-1-one
CID 131650091
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
CID 97409300
2-(3-chlorophenoxy)-1-[1-[(4-fluorophenyl)methyl]-1,9-diazaspiro[4.6]undecan-9-yl]ethanone
CID 131679577
[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-[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]butan-1-one
CID 155900811
1-[1-[(4-chloro-3-methylphenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 145315822
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 95802418
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 97451330
cyclopropyl-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97396364
1-[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97493667

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one (CID 97493619) is 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
The InChIKey is XBJRMHQLTVNNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c1-15(2)18(23)21-12-9-19(10-13-21)8-3-11-22(19)14-16-4-6-17(20)7-5-16/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one?
1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one has a molecular weight of 318.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one is sourced from PubChem (CID 97493619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).