4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride

C14H23BrClN3O — CID 119473923

IUPAC4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C14H22BrN3O.ClH/c1-3-18-9-12(15)7-13(18)14(19)17-10(2)11-5-4-6-16-8-11;/h7,9-11,16H,3-6,8H2,1-2H3,(H,17,19);1H
InChIKeyPZWSSGQZSPOBLH-UHFFFAOYSA-N
MW364.72 g/mol
LogP2.81
Rot. Bonds4

About 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride

4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride (PubChem CID 119473923) has the molecular formula C14H23BrClN3O and a molecular weight of 364.72 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
PubChem CID119473923
Molecular FormulaC14H23BrClN3O
Molecular Weight364.72 g/mol
Exact Mass363.07
IUPAC Name4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)NC(C)C1CCCNC1.Cl
InChIInChI=1S/C14H22BrN3O.ClH/c1-3-18-9-12(15)7-13(18)14(19)17-10(2)11-5-4-6-16-8-11;/h7,9-11,16H,3-6,8H2,1-2H3,(H,17,19);1H
InChIKeyPZWSSGQZSPOBLH-UHFFFAOYSA-N
XLogP2.81
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride 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-ethyl-N-piperidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119424531
4-bromo-1-ethyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide;hydrochloride
CID 119510103
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645
5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
CID 113265499
4-amino-N-(1-cyclopropylethyl)-1-ethylpyrrole-2-carboxamide
CID 43643685
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
3-methyl-N-(1-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119474248
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119473992
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43639540
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride (CID 119473923) is 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride is CCn1cc(Br)cc1C(=O)NC(C)C1CCCNC1.Cl.
What is the InChIKey of 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
The InChIKey is PZWSSGQZSPOBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O.ClH/c1-3-18-9-12(15)7-13(18)14(19)17-10(2)11-5-4-6-16-8-11;/h7,9-11,16H,3-6,8H2,1-2H3,(H,17,19);1H.
What are the key properties of 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride?
4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride has a molecular weight of 364.72 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-(1-piperidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119473923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).