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

C16H24BrN3O — CID 60954815

IUPAC4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C16H24BrN3O/c1-11(2)19-7-5-13(6-8-19)18-16(21)15-9-12(17)10-20(15)14-3-4-14/h9-11,13-14H,3-8H2,1-2H3,(H,18,21)
InChIKeyNLVMYUHQUAQERP-UHFFFAOYSA-N
MW354.29 g/mol
LogP3.19
Rot. Bonds4

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

4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide (PubChem CID 60954815) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
PubChem CID60954815
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(Br)cn2C2CC2)CC1
InChIInChI=1S/C16H24BrN3O/c1-11(2)19-7-5-13(6-8-19)18-16(21)15-9-12(17)10-20(15)14-3-4-14/h9-11,13-14H,3-8H2,1-2H3,(H,18,21)
InChIKeyNLVMYUHQUAQERP-UHFFFAOYSA-N
XLogP3.19
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-cyclopropyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43640968
4-bromo-N-cycloheptyl-1-cyclopropylpyrrole-2-carboxamide
CID 43641450
N-(azetidin-3-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 66187704
4-bromo-1-cyclopropyl-N-(3,5-dimethylcyclohexyl)pyrrole-2-carboxamide
CID 64734090
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43641790
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]propanoic acid
CID 43640386
4-bromo-N-(1-cyclohexylethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 63524255
N-(1-amino-1-oxopropan-2-yl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43641687
4-bromo-1-cyclopropyl-N-(3-ethylcyclohexyl)pyrrole-2-carboxamide
CID 64747843
N-(2-aminocyclopropyl)-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 43640446
3-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoic acid
CID 43640405
N-[1-(4-aminophenyl)ethyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 116650049

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide (CID 60954815) is 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc(Br)cn2C2CC2)CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
The InChIKey is NLVMYUHQUAQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-11(2)19-7-5-13(6-8-19)18-16(21)15-9-12(17)10-20(15)14-3-4-14/h9-11,13-14H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide has a molecular weight of 354.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60954815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).