(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C13H16Cl2N2O2 — CID 129484394

IUPAC(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-4-1-3-9(11(10)15)7-17-6-2-5-13(19,8-17)12(16)18/h1,3-4,19H,2,5-8H2,(H2,16,18)/t13-/m0/s1
InChIKeyOZBQAIRBAUTLLZ-ZDUSSCGKSA-N
MW303.19 g/mol
LogP1.81
Rot. Bonds3

About (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 129484394) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID129484394
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)[C@]1(O)CCCN(Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C13H16Cl2N2O2/c14-10-4-1-3-9(11(10)15)7-17-6-2-5-13(19,8-17)12(16)18/h1,3-4,19H,2,5-8H2,(H2,16,18)/t13-/m0/s1
InChIKeyOZBQAIRBAUTLLZ-ZDUSSCGKSA-N
XLogP1.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 129484394) is (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)[C@]1(O)CCCN(Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is OZBQAIRBAUTLLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c14-10-4-1-3-9(11(10)15)7-17-6-2-5-13(19,8-17)12(16)18/h1,3-4,19H,2,5-8H2,(H2,16,18)/t13-/m0/s1.
What are the key properties of (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 129484394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).