N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

C19H19BrN2O4 — CID 108558150

IUPACN-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2cccc(Br)c2)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H19BrN2O4/c20-14-3-1-2-12(8-14)19(26)22-6-4-15(5-7-22)21-18(25)13-9-16(23)11-17(24)10-13/h1-3,8-11,15,23-24H,4-7H2,(H,21,25)
InChIKeyLKTOTMRWENKZRF-UHFFFAOYSA-N
MW419.28 g/mol
LogP2.89
Rot. Bonds3

About N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide

N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (PubChem CID 108558150) has the molecular formula C19H19BrN2O4 and a molecular weight of 419.28 g/mol. Its IUPAC name is N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
PubChem CID108558150
Molecular FormulaC19H19BrN2O4
Molecular Weight419.28 g/mol
Exact Mass418.05
IUPAC NameN-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
SMILESO=C(NC1CCN(C(=O)c2cccc(Br)c2)CC1)c1cc(O)cc(O)c1
InChIInChI=1S/C19H19BrN2O4/c20-14-3-1-2-12(8-14)19(26)22-6-4-15(5-7-22)21-18(25)13-9-16(23)11-17(24)10-13/h1-3,8-11,15,23-24H,4-7H2,(H,21,25)
InChIKeyLKTOTMRWENKZRF-UHFFFAOYSA-N
XLogP2.89
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.28
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-acetamidobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558184
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
methyl 4-[(3-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392498
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551443
3-bromo-N-(1-cyclopropylpiperidin-4-yl)benzamide
CID 60730541
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-3,4-dimethylbenzamide
CID 108557638
3-bromo-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzamide
CID 108550869
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-3-hydroxybenzamide
CID 108558280
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide (CID 108558150) is N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is O=C(NC1CCN(C(=O)c2cccc(Br)c2)CC1)c1cc(O)cc(O)c1.
What is the InChIKey of N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
The InChIKey is LKTOTMRWENKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O4/c20-14-3-1-2-12(8-14)19(26)22-6-4-15(5-7-22)21-18(25)13-9-16(23)11-17(24)10-13/h1-3,8-11,15,23-24H,4-7H2,(H,21,25).
What are the key properties of N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide?
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide has a molecular weight of 419.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108558150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).