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

C19H19BrN2O3 — CID 108551354

IUPACN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1O
InChIInChI=1S/C19H19BrN2O3/c20-14-7-5-13(6-8-14)19(25)22-11-9-15(10-12-22)21-18(24)16-3-1-2-4-17(16)23/h1-8,15,23H,9-12H2,(H,21,24)
InChIKeyLIUNAMDRIJDQHJ-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.19
Rot. Bonds3

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

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide (PubChem CID 108551354) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
PubChem CID108551354
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1O
InChIInChI=1S/C19H19BrN2O3/c20-14-7-5-13(6-8-14)19(25)22-11-9-15(10-12-22)21-18(24)16-3-1-2-4-17(16)23/h1-8,15,23H,9-12H2,(H,21,24)
InChIKeyLIUNAMDRIJDQHJ-UHFFFAOYSA-N
XLogP3.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(4-bromobenzoyl)piperidin-4-yl]furan-2-carboxamide
CID 108550026
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
2-fluoro-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108549339
N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551397
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide (CID 108551354) is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide is O=C(NC1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1O.
What is the InChIKey of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide?
The InChIKey is LIUNAMDRIJDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c20-14-7-5-13(6-8-14)19(25)22-11-9-15(10-12-22)21-18(24)16-3-1-2-4-17(16)23/h1-8,15,23H,9-12H2,(H,21,24).
What are the key properties of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide?
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide has a molecular weight of 403.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 108551354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).