2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide

C14H21BrN2O2 — CID 106853405

IUPAC2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)17-7-4-11(5-8-17)16(3)14(18)12-6-9-19-13(12)15/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyQPXYDERCVAPOTN-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.99
Rot. Bonds3

About 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide

2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide (PubChem CID 106853405) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
PubChem CID106853405
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccoc2Br)CC1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)17-7-4-11(5-8-17)16(3)14(18)12-6-9-19-13(12)15/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyQPXYDERCVAPOTN-UHFFFAOYSA-N
XLogP2.99
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-piperidin-4-ylfuran-3-carboxamide
CID 106855036
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60725126
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
CID 60725134
2,3-difluoro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 105380476
2,4-diamino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 61105123
2-fluoro-N,5-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 62510083
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
2-chloro-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 60725190
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
N,6-dimethyl-7-oxo-N-(1-propan-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338530

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide (CID 106853405) is 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide is CC(C)N1CCC(N(C)C(=O)c2ccoc2Br)CC1.
What is the InChIKey of 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide?
The InChIKey is QPXYDERCVAPOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)17-7-4-11(5-8-17)16(3)14(18)12-6-9-19-13(12)15/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide?
2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide has a molecular weight of 329.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide is sourced from PubChem (CID 106853405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).