4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide

C15H24BrN3O — CID 60807774

IUPAC4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)cn1C(C)C)C1CCNCC1
InChIInChI=1S/C15H24BrN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13,17H,4-8H2,1-3H3
InChIKeyNHYJNGTYLMHHOF-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.05
Rot. Bonds4

About 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60807774) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60807774
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC Name4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)cn1C(C)C)C1CCNCC1
InChIInChI=1S/C15H24BrN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13,17H,4-8H2,1-3H3
InChIKeyNHYJNGTYLMHHOF-UHFFFAOYSA-N
XLogP3.05
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 60805388
4-chloro-N-piperidin-4-yl-1-propan-2-yl-N-propylpyrrole-2-carboxamide
CID 60807794
4-bromo-N-(2-cyanoethyl)-N-cyclopropyl-1-propan-2-ylpyrrole-2-carboxamide
CID 54916487
4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
4-chloro-1-propan-2-yl-N-propyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 63300921
4-bromo-N-ethyl-N-(2-methylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641536
4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
CID 63636908
4-bromo-N-methyl-N-pentan-2-yl-1-propan-2-ylpyrrole-2-carboxamide
CID 43641769
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(4-bromo-1-propan-2-ylpyrrol-2-yl)methanone
CID 102679383
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872
4-bromo-N-(2-piperazin-1-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640202
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)-propan-2-ylamino]acetic acid
CID 60831562

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide (CID 60807774) is 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide is CCN(C(=O)c1cc(Br)cn1C(C)C)C1CCNCC1.
What is the InChIKey of 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is NHYJNGTYLMHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-4-18(13-5-7-17-8-6-13)15(20)14-9-12(16)10-19(14)11(2)3/h9-11,13,17H,4-8H2,1-3H3.
What are the key properties of 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-N-piperidin-4-yl-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60807774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).