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

C18H19BrN2O4 — CID 108550325

IUPACN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-14-4-2-3-12(11-14)17(22)20-13-7-9-21(10-8-13)18(23)15-5-6-16(19)25-15/h2-6,11,13H,7-10H2,1H3,(H,20,22)
InChIKeyABVWPMSHKFHWOU-UHFFFAOYSA-N
MW407.26 g/mol
LogP3.09
Rot. Bonds4

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

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide (PubChem CID 108550325) has the molecular formula C18H19BrN2O4 and a molecular weight of 407.26 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
PubChem CID108550325
Molecular FormulaC18H19BrN2O4
Molecular Weight407.26 g/mol
Exact Mass406.05
IUPAC NameN-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)c1
InChIInChI=1S/C18H19BrN2O4/c1-24-14-4-2-3-12(11-14)17(22)20-13-7-9-21(10-8-13)18(23)15-5-6-16(19)25-15/h2-6,11,13H,7-10H2,1H3,(H,20,22)
InChIKeyABVWPMSHKFHWOU-UHFFFAOYSA-N
XLogP3.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
CID 108558280
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551489
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108550355
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
N-cyclopropyl-3-methoxybenzamide
CID 900156
3-methoxy-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 47029925
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide (CID 108550325) is N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)c3ccc(Br)o3)CC2)c1.
What is the InChIKey of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is ABVWPMSHKFHWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O4/c1-24-14-4-2-3-12(11-14)17(22)20-13-7-9-21(10-8-13)18(23)15-5-6-16(19)25-15/h2-6,11,13H,7-10H2,1H3,(H,20,22).
What are the key properties of N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide?
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 407.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 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-methoxybenzamide is sourced from PubChem (CID 108550325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).