(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide

C20H22Cl2N2O2 — CID 93490651

IUPAC(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-26-18-8-6-17(7-9-18)23-20(25)15-3-2-10-24(13-15)12-14-4-5-16(21)11-19(14)22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyWITKFYUMONADDU-HNNXBMFYSA-N
MW393.31 g/mol
LogP4.85
Rot. Bonds5

About (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 93490651) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID93490651
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC Name(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1
InChIInChI=1S/C20H22Cl2N2O2/c1-26-18-8-6-17(7-9-18)23-20(25)15-3-2-10-24(13-15)12-14-4-5-16(21)11-19(14)22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,23,25)/t15-/m0/s1
InChIKeyWITKFYUMONADDU-HNNXBMFYSA-N
XLogP4.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 43920361
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-ethylphenyl)piperidine-3-carboxamide
CID 93490972
methyl 2-chloro-5-[[1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 43925089
ethyl 4-[[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490741
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 93490424
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
(3R)-N-(5-chloro-2-methoxyphenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 93491426
1-[(2,6-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919691
N-(4-bromo-3-chlorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43924876
(3R)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 100778089

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 93490651) is (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1.
What is the InChIKey of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is WITKFYUMONADDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-26-18-8-6-17(7-9-18)23-20(25)15-3-2-10-24(13-15)12-14-4-5-16(21)11-19(14)22/h4-9,11,15H,2-3,10,12-13H2,1H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 393.31 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 93490651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).