4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide

C16H26BrN3O — CID 60955722

IUPAC4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C16H26BrN3O/c1-5-19-11-13(17)10-15(19)16(21)18(4)14-6-8-20(9-7-14)12(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyBTSDZAHEPOJLOC-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.22
Rot. Bonds4

About 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide (PubChem CID 60955722) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
PubChem CID60955722
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C16H26BrN3O/c1-5-19-11-13(17)10-15(19)16(21)18(4)14-6-8-20(9-7-14)12(2)3/h10-12,14H,5-9H2,1-4H3
InChIKeyBTSDZAHEPOJLOC-UHFFFAOYSA-N
XLogP3.22
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclobutyl-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115661025
4-bromo-N-methyl-N-(oxan-4-yl)-1-propylpyrrole-2-carboxamide
CID 43641814
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
4-bromo-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrrole-2-carboxamide
CID 63274162
4-amino-N-cycloheptyl-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43644117
4-bromo-N,1-dimethyl-N-(1-propylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61041943
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-amino-1-ethyl-N-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 61118691
4-bromo-N-methyl-N-(oxolan-3-yl)-1-propylpyrrole-2-carboxamide
CID 82737719
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60725126
4-bromo-1-ethyl-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 54878062
4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 54878069

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide (CID 60955722) is 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)C1CCN(C(C)C)CC1.
What is the InChIKey of 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
The InChIKey is BTSDZAHEPOJLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-5-19-11-13(17)10-15(19)16(21)18(4)14-6-8-20(9-7-14)12(2)3/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).