N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

C19H24N4O — CID 46573311

IUPACN-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C19H24N4O/c1-14(2)15-5-3-7-17(11-15)22-19(24)16-6-4-10-23(13-16)18-12-20-8-9-21-18/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3,(H,22,24)
InChIKeyNCGDTTJYLZYYSX-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.46
Rot. Bonds4

About N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide

N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 46573311) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID46573311
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C19H24N4O/c1-14(2)15-5-3-7-17(11-15)22-19(24)16-6-4-10-23(13-16)18-12-20-8-9-21-18/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3,(H,22,24)
InChIKeyNCGDTTJYLZYYSX-UHFFFAOYSA-N
XLogP3.46
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597194
N-[3-chloro-4-(1-phenylethylamino)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71685358
(3R)-N-[3-(azepan-1-ylsulfonyl)phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37025382
N-(3-methyl-4-pyridin-3-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 166280142
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
(3S)-N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 37070977
N-(4-piperidin-1-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 47024919
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
(3R)-N-(6-methyl-2-pyridinyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 36998696
(3R)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632049
(3S)-N-(5-acetamido-2-chlorophenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94632050
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42954768

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 46573311) is N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is CC(C)c1cccc(NC(=O)C2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is NCGDTTJYLZYYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)15-5-3-7-17(11-15)22-19(24)16-6-4-10-23(13-16)18-12-20-8-9-21-18/h3,5,7-9,11-12,14,16H,4,6,10,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-ylphenyl)-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46573311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).