N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C15H19F3N4O — CID 136570679

IUPACN-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1nccnc1C1CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)9-22-7-3-11(4-8-22)14(23)21-13-12(10-1-2-10)19-5-6-20-13/h5-6,10-11H,1-4,7-9H2,(H,20,21,23)
InChIKeyBZZBIWKKFDIJSB-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.57
Rot. Bonds4

About N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 136570679) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID136570679
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC NameN-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1nccnc1C1CC1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)9-22-7-3-11(4-8-22)14(23)21-13-12(10-1-2-10)19-5-6-20-13/h5-6,10-11H,1-4,7-9H2,(H,20,21,23)
InChIKeyBZZBIWKKFDIJSB-UHFFFAOYSA-N
XLogP2.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[3-(Pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821990
1-[4-[[5-(Pyrazin-2-ylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 95823803
2-[4-[6-(Dimethylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95823972
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 95825239
N-(2,2-difluoroethyl)-5-piperidin-4-ylpyrazin-2-amine
CID 95846722
N-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carboxamide
CID 3231148
1-[4-(6-Piperidin-4-ylpyrazin-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 118741796
(3S)-N-(3-cyclopropylpyrazin-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 164641563
1-[4-(6-Aminopyrazin-2-yl)piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 137500467
2-[6-(Trifluoromethyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 168209842
1-[6-(3,3-Difluorobutyl)pyrazin-2-yl]piperidine-4-carbaldehyde
CID 170000900
2-(difluoromethyl)spiro[5H-pyrrolo[2,3-b]pyrazine-7,4'-piperidine]-6-one
CID 176190635

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 136570679) is N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(Nc1nccnc1C1CC1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is BZZBIWKKFDIJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)9-22-7-3-11(4-8-22)14(23)21-13-12(10-1-2-10)19-5-6-20-13/h5-6,10-11H,1-4,7-9H2,(H,20,21,23).
What are the key properties of N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 328.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpyrazin-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 136570679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).