1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C22H23BrN2O3 — CID 112813855

IUPAC1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1
InChIInChI=1S/C22H23BrN2O3/c23-17-5-3-4-16(14-17)22(10-11-22)21(28)25-12-8-15(9-13-25)20(27)24-18-6-1-2-7-19(18)26/h1-7,14-15,26H,8-13H2,(H,24,27)
InChIKeyZNVAKSFTNYKAMN-UHFFFAOYSA-N
MW443.34 g/mol
LogP4.06
Rot. Bonds4

About 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 112813855) has the molecular formula C22H23BrN2O3 and a molecular weight of 443.34 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID112813855
Molecular FormulaC22H23BrN2O3
Molecular Weight443.34 g/mol
Exact Mass442.09
IUPAC Name1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1O)C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1
InChIInChI=1S/C22H23BrN2O3/c23-17-5-3-4-16(14-17)22(10-11-22)21(28)25-12-8-15(9-13-25)20(27)24-18-6-1-2-7-19(18)26/h1-7,14-15,26H,8-13H2,(H,24,27)
InChIKeyZNVAKSFTNYKAMN-UHFFFAOYSA-N
XLogP4.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.34
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-propylpiperidine-4-carboxamide
CID 134003440
(3S)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124703158
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882210
[1-(3-bromophenyl)cyclopropyl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877464
[1-(3-bromophenyl)cyclopropyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 56684688
[1-(3-bromophenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 134034309
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
N-[1-[1-(3-bromophenyl)cyclopropanecarbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 55692283
(3R)-1-[4-(3-bromophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 125149574
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
[1-(3-bromophenyl)cyclopropyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022790
1-[4-[1-(3-bromophenyl)cyclopentanecarbonyl]piperazin-1-yl]ethanone
CID 39975229

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 112813855) is 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccccc1O)C1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1.
What is the InChIKey of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is ZNVAKSFTNYKAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN2O3/c23-17-5-3-4-16(14-17)22(10-11-22)21(28)25-12-8-15(9-13-25)20(27)24-18-6-1-2-7-19(18)26/h1-7,14-15,26H,8-13H2,(H,24,27).
What are the key properties of 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 443.34 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 112813855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).