N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide

C22H21ClN4O2 — CID 46392098

IUPACN-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(c2nccnc2Oc2ccccc2)CC1
InChIInChI=1S/C22H21ClN4O2/c23-17-6-8-18(9-7-17)26-21(28)16-10-14-27(15-11-16)20-22(25-13-12-24-20)29-19-4-2-1-3-5-19/h1-9,12-13,16H,10-11,14-15H2,(H,26,28)
InChIKeyPQRUFJOIMUERAI-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.78
Rot. Bonds5

About N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide

N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide (PubChem CID 46392098) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
PubChem CID46392098
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC NameN-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CCN(c2nccnc2Oc2ccccc2)CC1
InChIInChI=1S/C22H21ClN4O2/c23-17-6-8-18(9-7-17)26-21(28)16-10-14-27(15-11-16)20-22(25-13-12-24-20)29-19-4-2-1-3-5-19/h1-9,12-13,16H,10-11,14-15H2,(H,26,28)
InChIKeyPQRUFJOIMUERAI-UHFFFAOYSA-N
XLogP4.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
N-(4-fluoro-3-methylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834660
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050445
N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392125
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392153
N-(3-fluoro-4-methoxyphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834661
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 92883993

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide (CID 46392098) is N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CCN(c2nccnc2Oc2ccccc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
The InChIKey is PQRUFJOIMUERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c23-17-6-8-18(9-7-17)26-21(28)16-10-14-27(15-11-16)20-22(25-13-12-24-20)29-19-4-2-1-3-5-19/h1-9,12-13,16H,10-11,14-15H2,(H,26,28).
What are the key properties of N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46392098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).