N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

C19H22ClN3O2 — CID 47056452

IUPACN-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-1-2-18(24)17(13-16)22-19(25)15-6-11-23(12-7-15)10-5-14-3-8-21-9-4-14/h1-4,8-9,13,15,24H,5-7,10-12H2,(H,22,25)
InChIKeyHBNATRFKQDAGJI-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.33
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 47056452) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
PubChem CID47056452
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C19H22ClN3O2/c20-16-1-2-18(24)17(13-16)22-19(25)15-6-11-23(12-7-15)10-5-14-3-8-21-9-4-14/h1-4,8-9,13,15,24H,5-7,10-12H2,(H,22,25)
InChIKeyHBNATRFKQDAGJI-UHFFFAOYSA-N
XLogP3.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxamide
CID 111113313
N-(5-chloro-2-hydroxyphenyl)-1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 52682709
N-(5-chloro-2-hydroxyphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 2953828
N-(5-chloro-2-hydroxyphenyl)-1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 60511834
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 20598018
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-N-(5-chloro-2-hydroxyphenyl)piperidine-4-carboxamide
CID 112841790
2-bromo-5-chloro-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]benzamide
CID 86878046
N-(5-chloro-2-hydroxyphenyl)-1-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
CID 60512001
methyl (2R)-2-[4-[(5-chloro-2-hydroxyphenyl)carbamoyl]piperidin-1-yl]propanoate
CID 124594809
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
N-(5-chloro-2-hydroxyphenyl)-1-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperidine-4-carboxamide
CID 60512055
N-(5-chloro-2-hydroxyphenyl)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]piperidine-4-carboxamide
CID 112841794

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide (CID 47056452) is N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is O=C(Nc1cc(Cl)ccc1O)C1CCN(CCc2ccncc2)CC1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is HBNATRFKQDAGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-1-2-18(24)17(13-16)22-19(25)15-6-11-23(12-7-15)10-5-14-3-8-21-9-4-14/h1-4,8-9,13,15,24H,5-7,10-12H2,(H,22,25).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1-(2-pyridin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47056452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).