2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide

C15H22BrN3O2 — CID 60956321

IUPAC2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCn1cc(Br)cc1C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H22BrN3O2/c1-2-5-19-10-12(16)9-13(19)15(21)18-6-3-11(4-7-18)8-14(17)20/h9-11H,2-8H2,1H3,(H2,17,20)
InChIKeyBPZJJWWMPZXTMJ-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.39
Rot. Bonds5

About 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide

2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide (PubChem CID 60956321) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
PubChem CID60956321
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC Name2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide
SMILESCCCn1cc(Br)cc1C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C15H22BrN3O2/c1-2-5-19-10-12(16)9-13(19)15(21)18-6-3-11(4-7-18)8-14(17)20/h9-11H,2-8H2,1H3,(H2,17,20)
InChIKeyBPZJJWWMPZXTMJ-UHFFFAOYSA-N
XLogP2.39
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide 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-propylpyrrol-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 54877993
(3-aminopiperidin-1-yl)-(4-bromo-1-propylpyrrol-2-yl)methanone
CID 61295504
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
(4-bromo-1-propylpyrrol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43639912
3-[1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217490
(4-bromo-1-propylpyrrol-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63620195
(4-amino-1-propylpyrrol-2-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43644030
(4-chloro-1-propylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80550757
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541
(4-bromo-1-methylpyrrol-2-yl)-(4-propylazepan-1-yl)methanone
CID 49093115
N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide (CID 60956321) is 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide is CCCn1cc(Br)cc1C(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is BPZJJWWMPZXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-2-5-19-10-12(16)9-13(19)15(21)18-6-3-11(4-7-18)8-14(17)20/h9-11H,2-8H2,1H3,(H2,17,20).
What are the key properties of 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide?
2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 356.26 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 60956321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).