methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate

C18H22BrN3O4 — CID 59102576

IUPACmethyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
SMILESCOC(=O)CN1CCCC2(CCCN2C(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H22BrN3O4/c1-26-15(23)12-21-10-2-8-18(16(21)24)9-3-11-22(18)17(25)20-14-6-4-13(19)5-7-14/h4-7H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyHINNAKNQLTZJSY-UHFFFAOYSA-N
MW424.30 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate

methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate (PubChem CID 59102576) has the molecular formula C18H22BrN3O4 and a molecular weight of 424.30 g/mol. Its IUPAC name is methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
PubChem CID59102576
Molecular FormulaC18H22BrN3O4
Molecular Weight424.30 g/mol
Exact Mass423.08
IUPAC Namemethyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
SMILESCOC(=O)CN1CCCC2(CCCN2C(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C18H22BrN3O4/c1-26-15(23)12-21-10-2-8-18(16(21)24)9-3-11-22(18)17(25)20-14-6-4-13(19)5-7-14/h4-7H,2-3,8-12H2,1H3,(H,20,25)
InChIKeyHINNAKNQLTZJSY-UHFFFAOYSA-N
XLogP2.61
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate with MolForge

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Related Compounds

9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
methyl 2-[1-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate
CID 59102586
methyl 2-[(4R)-4-(4-bromophenyl)-2-oxopiperidin-1-yl]acetate
CID 125455997
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
CID 73013471
1-[(3,4-difluorophenyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060415
2-[(5S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetic acid
CID 24805629
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
2-(1-acetyl-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)acetic acid
CID 90330211
methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
CID 117030355
ethyl 2-[(3R)-3-benzyl-3-hydroxy-2-oxopiperidin-1-yl]acetate
CID 100949445
2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 175373434
methyl 2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 17478962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
The IUPAC name of methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate (CID 59102576) is methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
The canonical SMILES for methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate is COC(=O)CN1CCCC2(CCCN2C(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
The InChIKey is HINNAKNQLTZJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O4/c1-26-15(23)12-21-10-2-8-18(16(21)24)9-3-11-22(18)17(25)20-14-6-4-13(19)5-7-14/h4-7H,2-3,8-12H2,1H3,(H,20,25).
What are the key properties of methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate?
methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate has a molecular weight of 424.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(4-bromophenyl)carbamoyl]-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]acetate is sourced from PubChem (CID 59102576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).