methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate

C14H17BrN2O5 — CID 51166514

IUPACmethyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H17BrN2O5/c1-21-14(20)9-4-6-17(7-5-9)12(18)8-16-13(19)10-2-3-11(15)22-10/h2-3,9H,4-8H2,1H3,(H,16,19)
InChIKeyAQYCNONHBGSVAJ-UHFFFAOYSA-N
MW373.20 g/mol
LogP1.18
Rot. Bonds4

About methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate

methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 51166514) has the molecular formula C14H17BrN2O5 and a molecular weight of 373.20 g/mol. Its IUPAC name is methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
PubChem CID51166514
Molecular FormulaC14H17BrN2O5
Molecular Weight373.20 g/mol
Exact Mass372.03
IUPAC Namemethyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H17BrN2O5/c1-21-14(20)9-4-6-17(7-5-9)12(18)8-16-13(19)10-2-3-11(15)22-10/h2-3,9H,4-8H2,1H3,(H,16,19)
InChIKeyAQYCNONHBGSVAJ-UHFFFAOYSA-N
XLogP1.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
5-bromo-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 51161739
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
methyl 4-[(5-bromofuran-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 112690033
methyl 1-(2-benzamidoacetyl)pyrrolidine-3-carboxylate
CID 84579845
N-[2-(4-benzyl-3-ethylpiperazin-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide
CID 86791126
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
5-bromo-N-[2-(3-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 115875368
methyl 1-[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111977375
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate (CID 51166514) is methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is AQYCNONHBGSVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O5/c1-21-14(20)9-4-6-17(7-5-9)12(18)8-16-13(19)10-2-3-11(15)22-10/h2-3,9H,4-8H2,1H3,(H,16,19).
What are the key properties of methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate?
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 373.20 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 51166514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).