4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide

C16H26BrN3O — CID 61242007

IUPAC4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C16H26BrN3O/c1-3-7-20-12-14(17)11-15(20)16(21)18-6-10-19-8-4-13(2)5-9-19/h11-13H,3-10H2,1-2H3,(H,18,21)
InChIKeyWOHXHAOAPDLJIV-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.12
Rot. Bonds6

About 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide

4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide (PubChem CID 61242007) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
PubChem CID61242007
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C16H26BrN3O/c1-3-7-20-12-14(17)11-15(20)16(21)18-6-10-19-8-4-13(2)5-9-19/h11-13H,3-10H2,1-2H3,(H,18,21)
InChIKeyWOHXHAOAPDLJIV-UHFFFAOYSA-N
XLogP3.12
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-morpholin-4-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641464
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-bromo-1-ethyl-N-(2-thiomorpholin-4-ylethyl)pyrrole-2-carboxamide
CID 103659281
4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971697
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
4-bromo-N-(oxan-4-ylmethyl)-1-propylpyrrole-2-carboxamide
CID 55226070
4-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 61022215
4-bromo-N-(1-cyclopropylpiperidin-4-yl)-1-propylpyrrole-2-carboxamide
CID 60956002
4-bromo-1-ethyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640965
4-bromo-N-(2-methylcyclopropyl)-1-propylpyrrole-2-carboxamide
CID 62408221
4-bromo-N-(1-ethylpiperidin-3-yl)-1-propylpyrrole-2-carboxamide
CID 61170021

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide (CID 61242007) is 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is WOHXHAOAPDLJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-3-7-20-12-14(17)11-15(20)16(21)18-6-10-19-8-4-13(2)5-9-19/h11-13H,3-10H2,1-2H3,(H,18,21).
What are the key properties of 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide?
4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 61242007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).