N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide

C17H17BrN2O4 — CID 108558280

IUPACN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1cccc(O)c1
InChIInChI=1S/C17H17BrN2O4/c18-15-5-4-14(24-15)17(23)20-8-6-12(7-9-20)19-16(22)11-2-1-3-13(21)10-11/h1-5,10,12,21H,6-9H2,(H,19,22)
InChIKeyNDBXVZKVNSHFMN-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide (PubChem CID 108558280) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
PubChem CID108558280
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1cccc(O)c1
InChIInChI=1S/C17H17BrN2O4/c18-15-5-4-14(24-15)17(23)20-8-6-12(7-9-20)19-16(22)11-2-1-3-13(21)10-11/h1-5,10,12,21H,6-9H2,(H,19,22)
InChIKeyNDBXVZKVNSHFMN-UHFFFAOYSA-N
XLogP2.78
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550325
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-chloro-6-fluorobenzamide
CID 108558645
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2,4-dichlorobenzamide
CID 108564551
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
5-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]furan-2-carboxamide
CID 38198333
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
5-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108551736
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-3-hydroxybenzamide
CID 108558340

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide?
The IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide (CID 108558280) is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide.
What is the SMILES notation for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide?
The canonical SMILES for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide is O=C(NC1CCN(C(=O)c2ccc(Br)o2)CC1)c1cccc(O)c1.
What is the InChIKey of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide?
The InChIKey is NDBXVZKVNSHFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c18-15-5-4-14(24-15)17(23)20-8-6-12(7-9-20)19-16(22)11-2-1-3-13(21)10-11/h1-5,10,12,21H,6-9H2,(H,19,22).
What are the key properties of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide?
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide has a molecular weight of 393.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide is sourced from PubChem (CID 108558280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).