(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide

C12H14Cl2N2O2 — CID 107680359

IUPAC(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCNC1
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-8(5-10(14)11(9)17)16-12(18)7-2-1-3-15-6-7/h4-5,7,15,17H,1-3,6H2,(H,16,18)/t7-/m1/s1
InChIKeyZYPITSFYPXZRGH-SSDOTTSWSA-N
MW289.16 g/mol
LogP2.64
Rot. Bonds2

About (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide

(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide (PubChem CID 107680359) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
PubChem CID107680359
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCNC1
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-8(5-10(14)11(9)17)16-12(18)7-2-1-3-15-6-7/h4-5,7,15,17H,1-3,6H2,(H,16,18)/t7-/m1/s1
InChIKeyZYPITSFYPXZRGH-SSDOTTSWSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-(3-chloro-4-nitrophenyl)piperidine-3-carboxamide
CID 82864995
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-(3-chloro-4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43712007
N-[3-chloro-4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 61260908
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-[3,5-dichloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 63006958

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide (CID 107680359) is (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide?
The InChIKey is ZYPITSFYPXZRGH-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-9-4-8(5-10(14)11(9)17)16-12(18)7-2-1-3-15-6-7/h4-5,7,15,17H,1-3,6H2,(H,16,18)/t7-/m1/s1.
What are the key properties of (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide?
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide has a molecular weight of 289.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 107680359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).