(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

C12H13Cl3N2O — CID 29294269

IUPAC(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCNC1
InChIInChI=1S/C12H13Cl3N2O/c13-8-4-10(15)11(5-9(8)14)17-12(18)7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)/t7-/m0/s1
InChIKeyHWFIAQMOUVPSDM-ZETCQYMHSA-N
MW307.61 g/mol
LogP3.58
Rot. Bonds2

About (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide

(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (PubChem CID 29294269) has the molecular formula C12H13Cl3N2O and a molecular weight of 307.61 g/mol. Its IUPAC name is (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
PubChem CID29294269
Molecular FormulaC12H13Cl3N2O
Molecular Weight307.61 g/mol
Exact Mass306.01
IUPAC Name(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCNC1
InChIInChI=1S/C12H13Cl3N2O/c13-8-4-10(15)11(5-9(8)14)17-12(18)7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)/t7-/m0/s1
InChIKeyHWFIAQMOUVPSDM-ZETCQYMHSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.61
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
methyl 4-chloro-3-[[(3R)-piperidine-3-carbonyl]amino]benzoate
CID 28807387
(3S)-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)piperidine-3-carboxamide
CID 59756651
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3S)-N-[2-chloro-5-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 81118445

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide (CID 29294269) is (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is O=C(Nc1cc(Cl)c(Cl)cc1Cl)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
The InChIKey is HWFIAQMOUVPSDM-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13Cl3N2O/c13-8-4-10(15)11(5-9(8)14)17-12(18)7-2-1-3-16-6-7/h4-5,7,16H,1-3,6H2,(H,17,18)/t7-/m0/s1.
What are the key properties of (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide?
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide has a molecular weight of 307.61 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 29294269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).