N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C17H22BrN3O3 — CID 91651859

IUPACN-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(O)c1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H22BrN3O3/c18-14-4-3-13(11-15(14)22)19-16(23)12-5-9-21(10-6-12)17(24)20-7-1-2-8-20/h3-4,11-12,22H,1-2,5-10H2,(H,19,23)
InChIKeyJPYXRUVUYDUUDJ-UHFFFAOYSA-N
MW396.29 g/mol
LogP3.02
Rot. Bonds2

About N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 91651859) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID91651859
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC NameN-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)c(O)c1)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H22BrN3O3/c18-14-4-3-13(11-15(14)22)19-16(23)12-5-9-21(10-6-12)17(24)20-7-1-2-8-20/h3-4,11-12,22H,1-2,5-10H2,(H,19,23)
InChIKeyJPYXRUVUYDUUDJ-UHFFFAOYSA-N
XLogP3.02
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dibromophenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55760620
2-[2-fluoro-4-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]acetic acid
CID 122110170
N-(3-amino-4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119419829
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
2-bromo-5-(cyclobutanecarbonylamino)benzoic acid
CID 115295680
N-[4-(ethylsulfonylamino)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55960086
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719254
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55802360
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 91651859) is N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)c(O)c1)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is JPYXRUVUYDUUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c18-14-4-3-13(11-15(14)22)19-16(23)12-5-9-21(10-6-12)17(24)20-7-1-2-8-20/h3-4,11-12,22H,1-2,5-10H2,(H,19,23).
What are the key properties of N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-hydroxyphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 91651859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).