ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate

C14H19BrN2O3 — CID 43409185

IUPACethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Br)cn2C)C1
InChIInChI=1S/C14H19BrN2O3/c1-3-20-14(19)10-5-4-6-17(8-10)13(18)12-7-11(15)9-16(12)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXXRNFOSWNBOIEB-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.20
Rot. Bonds3

About ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate

ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate (PubChem CID 43409185) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
PubChem CID43409185
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Nameethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(Br)cn2C)C1
InChIInChI=1S/C14H19BrN2O3/c1-3-20-14(19)10-5-4-6-17(8-10)13(18)12-7-11(15)9-16(12)2/h7,9-10H,3-6,8H2,1-2H3
InChIKeyXXRNFOSWNBOIEB-UHFFFAOYSA-N
XLogP2.20
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate 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

ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl (3S)-1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 81338249
ethyl 1-(3,5-dichlorobenzoyl)piperidine-3-carboxylate
CID 43404461
(4-bromo-1-methylpyrrol-2-yl)-(4-propylazepan-1-yl)methanone
CID 49093115
ethyl 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-4-carboxylate
CID 86998647
ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19491999
(4-bromo-1-methylpyrrol-2-yl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916212
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate (CID 43409185) is ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(Br)cn2C)C1.
What is the InChIKey of ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
The InChIKey is XXRNFOSWNBOIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-3-20-14(19)10-5-4-6-17(8-10)13(18)12-7-11(15)9-16(12)2/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate?
ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate has a molecular weight of 343.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-bromo-1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 43409185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).