N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide

C13H18BrN3O3 — CID 119480250

IUPACN-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2coc(Br)c2)C1
InChIInChI=1S/C13H18BrN3O3/c14-11-6-10(8-20-11)13(19)17-5-1-2-9(7-17)12(18)16-4-3-15/h6,8-9H,1-5,7,15H2,(H,16,18)
InChIKeyBVFLKAVHZGNPHO-UHFFFAOYSA-N
MW344.21 g/mol
LogP0.97
Rot. Bonds4

About N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide (PubChem CID 119480250) has the molecular formula C13H18BrN3O3 and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide
PubChem CID119480250
Molecular FormulaC13H18BrN3O3
Molecular Weight344.21 g/mol
Exact Mass343.05
IUPAC NameN-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2coc(Br)c2)C1
InChIInChI=1S/C13H18BrN3O3/c14-11-6-10(8-20-11)13(19)17-5-1-2-9(7-17)12(18)16-4-3-15/h6,8-9H,1-5,7,15H2,(H,16,18)
InChIKeyBVFLKAVHZGNPHO-UHFFFAOYSA-N
XLogP0.97
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-(4-bromo-3-fluorobenzoyl)piperidine-3-carboxamide
CID 119385141
N-(2-aminoethyl)-1-(2,4,6-trifluorobenzoyl)piperidine-3-carboxamide
CID 119480903
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(4-fluoro-3-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481326
N-(2-aminoethyl)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 63252564
N-(2-aminoethyl)-1-[4-(diethylcarbamoyl)benzoyl]piperidine-3-carboxamide
CID 119481575
N-(2-aminoethyl)-1-(3-ethylthiophene-2-carbonyl)piperidine-3-carboxamide
CID 63252612
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide (CID 119480250) is N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2coc(Br)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is BVFLKAVHZGNPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3/c14-11-6-10(8-20-11)13(19)17-5-1-2-9(7-17)12(18)16-4-3-15/h6,8-9H,1-5,7,15H2,(H,16,18).
What are the key properties of N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(5-bromofuran-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119480250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).