4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C16H26BrN3O — CID 60954918

IUPAC4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C16H26BrN3O/c1-12(2)20-11-14(17)9-15(20)16(21)18-13(3)10-19-7-5-4-6-8-19/h9,11-13H,4-8,10H2,1-3H3,(H,18,21)
InChIKeyPFYIPLQUEMDHRG-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.44
Rot. Bonds5

About 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 60954918) has the molecular formula C16H26BrN3O and a molecular weight of 356.31 g/mol. Its IUPAC name is 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID60954918
Molecular FormulaC16H26BrN3O
Molecular Weight356.31 g/mol
Exact Mass355.13
IUPAC Name4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(CN1CCCCC1)NC(=O)c1cc(Br)cn1C(C)C
InChIInChI=1S/C16H26BrN3O/c1-12(2)20-11-14(17)9-15(20)16(21)18-13(3)10-19-7-5-4-6-8-19/h9,11-13H,4-8,10H2,1-3H3,(H,18,21)
InChIKeyPFYIPLQUEMDHRG-UHFFFAOYSA-N
XLogP3.44
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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5-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]hexanoic acid
CID 82855293
4-bromo-N-(1-cyclohexylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
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5-bromo-2-(methylamino)-N-(1-piperidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62178901
N-(1-amino-3-methylbutan-2-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 65191182
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
2-[(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 43640119
4-bromo-N-[1-(4-bromophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 63529150
4-bromo-1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxylic acid
CID 114605258
N-(1-amino-4-methylpentan-2-yl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 63888921
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 60954918) is 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(CN1CCCCC1)NC(=O)c1cc(Br)cn1C(C)C.
What is the InChIKey of 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is PFYIPLQUEMDHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3O/c1-12(2)20-11-14(17)9-15(20)16(21)18-13(3)10-19-7-5-4-6-8-19/h9,11-13H,4-8,10H2,1-3H3,(H,18,21).
What are the key properties of 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 356.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-piperidin-1-ylpropan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 60954918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).