1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide

C22H22Cl2N2O3 — CID 97012183

IUPAC1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H22Cl2N2O3/c23-19-6-1-14(11-20(19)24)17-12-18(17)22(29)26-9-7-13(8-10-26)21(28)25-15-2-4-16(27)5-3-15/h1-6,11,13,17-18,27H,7-10,12H2,(H,25,28)/t17-,18-/m1/s1
InChIKeyIUQSHRDIQKHRPX-QZTJIDSGSA-N
MW433.34 g/mol
LogP4.68
Rot. Bonds4

About 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide

1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 97012183) has the molecular formula C22H22Cl2N2O3 and a molecular weight of 433.34 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID97012183
Molecular FormulaC22H22Cl2N2O3
Molecular Weight433.34 g/mol
Exact Mass432.10
IUPAC Name1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C22H22Cl2N2O3/c23-19-6-1-14(11-20(19)24)17-12-18(17)22(29)26-9-7-13(8-10-26)21(28)25-15-2-4-16(27)5-3-15/h1-6,11,13,17-18,27H,7-10,12H2,(H,25,28)/t17-,18-/m1/s1
InChIKeyIUQSHRDIQKHRPX-QZTJIDSGSA-N
XLogP4.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-chloro-4-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120976184
N-(3,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131966
4-N-(3,4-dichlorophenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26577149
1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251874
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
[2-(3,4-dichlorophenyl)cyclopropyl]-[4-[3-(dimethylamino)propyl]piperidin-1-yl]methanone
CID 75437645
[(3R)-3-aminopiperidin-1-yl]-[(1S,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623000
[(3R)-3-aminopiperidin-1-yl]-[(1R,2R)-2-(3,4-dichlorophenyl)cyclopropyl]methanone
CID 124623002
N-[1-[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]-2-fluorobenzamide
CID 86885736
1-[2-(3-chlorophenyl)cyclopropanecarbonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 49263443
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide (CID 97012183) is 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(O)cc1)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is IUQSHRDIQKHRPX-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H22Cl2N2O3/c23-19-6-1-14(11-20(19)24)17-12-18(17)22(29)26-9-7-13(8-10-26)21(28)25-15-2-4-16(27)5-3-15/h1-6,11,13,17-18,27H,7-10,12H2,(H,25,28)/t17-,18-/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide?
1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 433.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 97012183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).