1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C23H26BrN3O3 — CID 167853019

IUPAC1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1
InChIInChI=1S/C23H26BrN3O3/c24-18-13-17(14-19(15-18)26-9-3-4-10-26)23(30)27-11-7-16(8-12-27)22(29)25-20-5-1-2-6-21(20)28/h1-2,5-6,13-16,28H,3-4,7-12H2,(H,25,29)
InChIKeyVAKAZJVEKJDBNO-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.25
Rot. Bonds4

About 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 167853019) has the molecular formula C23H26BrN3O3 and a molecular weight of 472.38 g/mol. Its IUPAC name is 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID167853019
Molecular FormulaC23H26BrN3O3
Molecular Weight472.38 g/mol
Exact Mass471.12
IUPAC Name1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1
InChIInChI=1S/C23H26BrN3O3/c24-18-13-17(14-19(15-18)26-9-3-4-10-26)23(30)27-11-7-16(8-12-27)22(29)25-20-5-1-2-6-21(20)28/h1-2,5-6,13-16,28H,3-4,7-12H2,(H,25,29)
InChIKeyVAKAZJVEKJDBNO-UHFFFAOYSA-N
XLogP4.25
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
1-(4-bromobenzoyl)-N-(2-cyclopentylsulfanylphenyl)piperidine-4-carboxamide
CID 32559647
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 112813855
N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 136516099
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
1-(3,5-dimethoxy-4-methylbenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 33336070
N-(2-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 1245576
1-[2-(4-bromophenoxy)propanoyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 42920350
1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 55762993

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 167853019) is 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1O)C1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)CC1.
What is the InChIKey of 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is VAKAZJVEKJDBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O3/c24-18-13-17(14-19(15-18)26-9-3-4-10-26)23(30)27-11-7-16(8-12-27)22(29)25-20-5-1-2-6-21(20)28/h1-2,5-6,13-16,28H,3-4,7-12H2,(H,25,29).
What are the key properties of 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 472.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-pyrrolidin-1-ylbenzoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 167853019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).