2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C22H32FN3O2 — CID 91922221

IUPAC2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C22H32FN3O2/c1-28-15-18-14-26(20-3-2-4-20)16-22(18)9-11-25(12-10-22)21(27)24-13-17-5-7-19(23)8-6-17/h5-8,18,20H,2-4,9-16H2,1H3,(H,24,27)
InChIKeyGLUQOGCOFMMQHH-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.25
Rot. Bonds5

About 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91922221) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91922221
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC Name2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCC1CN(C2CCC2)CC12CCN(C(=O)NCc1ccc(F)cc1)CC2
InChIInChI=1S/C22H32FN3O2/c1-28-15-18-14-26(20-3-2-4-20)16-22(18)9-11-25(12-10-22)21(27)24-13-17-5-7-19(23)8-6-17/h5-8,18,20H,2-4,9-16H2,1H3,(H,24,27)
InChIKeyGLUQOGCOFMMQHH-UHFFFAOYSA-N
XLogP3.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
CID 91922183
1-[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 91922207
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
(4S)-N-[(4-fluorophenyl)methyl]-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72873328
N-[(4-chlorophenyl)methyl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505510
N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 45245237
2-(4-chlorophenyl)-1-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91922038
(3S)-3-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 97133998
N-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 23933937
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 91922221) is 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COCC1CN(C2CCC2)CC12CCN(C(=O)NCc1ccc(F)cc1)CC2.
What is the InChIKey of 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is GLUQOGCOFMMQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-28-15-18-14-26(20-3-2-4-20)16-22(18)9-11-25(12-10-22)21(27)24-13-17-5-7-19(23)8-6-17/h5-8,18,20H,2-4,9-16H2,1H3,(H,24,27).
What are the key properties of 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 389.52 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91922221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).