N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide

C17H17BrN2O3 — CID 108550026

IUPACN-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccco1
InChIInChI=1S/C17H17BrN2O3/c18-13-5-3-12(4-6-13)17(22)20-9-7-14(8-10-20)19-16(21)15-2-1-11-23-15/h1-6,11,14H,7-10H2,(H,19,21)
InChIKeySKWIIUNRJXLXNB-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.08
Rot. Bonds3

About N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide

N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 108550026) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID108550026
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccco1
InChIInChI=1S/C17H17BrN2O3/c18-13-5-3-12(4-6-13)17(22)20-9-7-14(8-10-20)19-16(21)15-2-1-11-23-15/h1-6,11,14H,7-10H2,(H,19,21)
InChIKeySKWIIUNRJXLXNB-UHFFFAOYSA-N
XLogP3.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 110820463
N-[1-(furan-2-carbonyl)piperidin-4-yl]-4-methylbenzamide
CID 16613592
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
N-[1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 110821472
N-[(2R)-1-[(1-benzoylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 51728586
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
prop-2-enyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 108559625

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide (CID 108550026) is N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccco1.
What is the InChIKey of N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is SKWIIUNRJXLXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c18-13-5-3-12(4-6-13)17(22)20-9-7-14(8-10-20)19-16(21)15-2-1-11-23-15/h1-6,11,14H,7-10H2,(H,19,21).
What are the key properties of N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide?
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108550026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).