(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone

C12H18BrN3O — CID 43639622

IUPAC(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H18BrN3O/c1-2-15-8-9(13)7-11(15)12(17)16-5-3-10(14)4-6-16/h7-8,10H,2-6,14H2,1H3
InChIKeyNMKMMHAWLKWMAF-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.83
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone

(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone (PubChem CID 43639622) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
PubChem CID43639622
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
SMILESCCn1cc(Br)cc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C12H18BrN3O/c1-2-15-8-9(13)7-11(15)12(17)16-5-3-10(14)4-6-16/h7-8,10H,2-6,14H2,1H3
InChIKeyNMKMMHAWLKWMAF-UHFFFAOYSA-N
XLogP1.83
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
3-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217490
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 120817530
(3-amino-4-methylpyrrolidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 103575979
(4-bromo-1-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
CID 60956321
(4-bromo-1-ethylpyrrol-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 43640671
(4-bromo-1-ethylpyrrol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 63656389
(4-bromo-1-ethylpyrrol-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304407
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone (CID 43639622) is (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone is CCn1cc(Br)cc1C(=O)N1CCC(N)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
The InChIKey is NMKMMHAWLKWMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-2-15-8-9(13)7-11(15)12(17)16-5-3-10(14)4-6-16/h7-8,10H,2-6,14H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone?
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone has a molecular weight of 300.20 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone is sourced from PubChem (CID 43639622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).