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

C14H21BrN2O2 — CID 60725134

IUPAC5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)17-8-6-11(7-9-17)16(3)14(18)12-4-5-13(15)19-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPMDNJLBEMNVSKL-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.99
Rot. Bonds3

About 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide

5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide (PubChem CID 60725134) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
PubChem CID60725134
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide
SMILESCC(C)N1CCC(N(C)C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H21BrN2O2/c1-10(2)17-8-6-11(7-9-17)16(3)14(18)12-4-5-13(15)19-12/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPMDNJLBEMNVSKL-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

5-bromo-N-methyl-N-(4-methylcyclohexyl)furan-2-carboxamide
CID 55028576
5-bromo-N-methyl-N-piperidin-4-ylfuran-2-carboxamide
CID 43602151
2-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-3-carboxamide
CID 106853405
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)thiophene-2-carboxamide
CID 60725126
5-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylfuran-2-carboxamide
CID 2337336
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344
5-bromo-N-(2-hydroxycyclohexyl)-N-methylfuran-2-carboxamide
CID 102632344
5-bromo-N-cyclopentyl-N-(2-methylpropyl)furan-2-carboxamide
CID 112725800
5-bromo-N-cyclopropyl-N-(3-methylbutyl)furan-2-carboxamide
CID 60733156
5-bromo-N-[(1R,2R)-2-fluorocyclopentyl]-N-methylfuran-2-carboxamide
CID 126856171
5-bromo-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 86823045
5-bromo-N-cyclopropyl-N-ethylfuran-2-carboxamide
CID 60729086

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide (CID 60725134) is 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide is CC(C)N1CCC(N(C)C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide?
The InChIKey is PMDNJLBEMNVSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-10(2)17-8-6-11(7-9-17)16(3)14(18)12-4-5-13(15)19-12/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide?
5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-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 5-bromo-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 60725134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).