N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide

C15H22BrN3O2 — CID 60956161

IUPACN-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(Br)cn2C(C)C)C1
InChIInChI=1S/C15H22BrN3O2/c1-10(2)19-8-12(16)7-14(19)15(21)18-6-4-5-13(9-18)17-11(3)20/h7-8,10,13H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyPTOWJVDORFBUQA-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide

N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide (PubChem CID 60956161) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
PubChem CID60956161
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)c2cc(Br)cn2C(C)C)C1
InChIInChI=1S/C15H22BrN3O2/c1-10(2)19-8-12(16)7-14(19)15(21)18-6-4-5-13(9-18)17-11(3)20/h7-8,10,13H,4-6,9H2,1-3H3,(H,17,20)
InChIKeyPTOWJVDORFBUQA-UHFFFAOYSA-N
XLogP2.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-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

N-[1-(4-bromo-1-propylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 60956160
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-methoxypiperidin-1-yl)methanone
CID 103707288
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697874
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62973851
N-[1-(4-amino-1-methylpyrrole-2-carbonyl)piperidin-3-yl]acetamide
CID 61110247
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418052
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641438
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 43640533
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974750
(4-bromo-1-propan-2-ylpyrrol-2-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone;hydrochloride
CID 119624857
N-[1-(5-bromo-4-methylthiophene-2-carbonyl)piperidin-3-yl]acetamide
CID 79926806
4-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-1,4-diazepan-2-one
CID 65361591

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide (CID 60956161) is N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)c2cc(Br)cn2C(C)C)C1.
What is the InChIKey of N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
The InChIKey is PTOWJVDORFBUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c1-10(2)19-8-12(16)7-14(19)15(21)18-6-4-5-13(9-18)17-11(3)20/h7-8,10,13H,4-6,9H2,1-3H3,(H,17,20).
What are the key properties of N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide?
N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide has a molecular weight of 356.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 60956161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).