N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide

C14H22BrN3O2 — CID 80548846

IUPACN-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H22BrN3O2/c1-14(2,18-8-6-16-7-9-18)13(19)17(3)10-11-4-5-12(15)20-11/h4-5,16H,6-10H2,1-3H3
InChIKeyJUCXQYBZRZZSOB-UHFFFAOYSA-N
MW344.25 g/mol
LogP1.68
Rot. Bonds4

About N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide

N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide (PubChem CID 80548846) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
PubChem CID80548846
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C14H22BrN3O2/c1-14(2,18-8-6-16-7-9-18)13(19)17(3)10-11-4-5-12(15)20-11/h4-5,16H,6-10H2,1-3H3
InChIKeyJUCXQYBZRZZSOB-UHFFFAOYSA-N
XLogP1.68
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide (CID 80548846) is N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide is CN(Cc1ccc(Br)o1)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The InChIKey is JUCXQYBZRZZSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-14(2,18-8-6-16-7-9-18)13(19)17(3)10-11-4-5-12(15)20-11/h4-5,16H,6-10H2,1-3H3.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide?
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide has a molecular weight of 344.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).