(2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone

C23H28FN3O — CID 91523720

IUPAC(2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(Cc2ccccc2)CN3C)cc1F
InChIInChI=1S/C23H28FN3O/c1-17-8-9-19(15-21(17)24)22(28)27-12-10-23(11-13-27)25-20(16-26(23)2)14-18-6-4-3-5-7-18/h3-9,15,20,25H,10-14,16H2,1-2H3
InChIKeyYRNAYJPEIWSYIU-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.21
Rot. Bonds3

About (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone

(2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 91523720) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID91523720
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name(2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)NC(Cc2ccccc2)CN3C)cc1F
InChIInChI=1S/C23H28FN3O/c1-17-8-9-19(15-21(17)24)22(28)27-12-10-23(11-13-27)25-20(16-26(23)2)14-18-6-4-3-5-7-18/h3-9,15,20,25H,10-14,16H2,1-2H3
InChIKeyYRNAYJPEIWSYIU-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone with MolForge

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Related Compounds

4-benzyl-3-ethyl-1-(3-fluoro-4-methylbenzoyl)-1,4-diazepan-5-one
CID 56863902
[4-(2-bromoethyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 80660633
(3-fluoro-4-methylphenyl)-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]methanone
CID 155991713
N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 154842062
1-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 60505637
(3-fluoro-4-methylphenyl)-[4-(5-hydroxypentyl)piperazin-1-yl]methanone
CID 110923840
1-(3-fluoro-4-methylbenzoyl)-4-methylpiperidine-4-carbothioamide
CID 107160927
ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
CID 67568721
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
[4-(aminomethyl)phenyl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119282079
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone (CID 91523720) is (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)NC(Cc2ccccc2)CN3C)cc1F.
What is the InChIKey of (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is YRNAYJPEIWSYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-17-8-9-19(15-21(17)24)22(28)27-12-10-23(11-13-27)25-20(16-26(23)2)14-18-6-4-3-5-7-18/h3-9,15,20,25H,10-14,16H2,1-2H3.
What are the key properties of (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone?
(2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 381.50 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-methyl-1,4,8-triazaspiro[4.5]decan-8-yl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 91523720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).