1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone

C15H21F2N5O — CID 67000785

IUPAC1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
SMILESO=C(CNC1CCN(c2cnccn2)CC1)N1CCC(F)(F)C1
InChIInChI=1S/C15H21F2N5O/c16-15(17)3-8-22(11-15)14(23)10-20-12-1-6-21(7-2-12)13-9-18-4-5-19-13/h4-5,9,12,20H,1-3,6-8,10-11H2
InChIKeyDRCPZGKAJOKUIJ-UHFFFAOYSA-N
MW325.36 g/mol
LogP0.90
Rot. Bonds4

About 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone

1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone (PubChem CID 67000785) has the molecular formula C15H21F2N5O and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
PubChem CID67000785
Molecular FormulaC15H21F2N5O
Molecular Weight325.36 g/mol
Exact Mass325.17
IUPAC Name1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone
SMILESO=C(CNC1CCN(c2cnccn2)CC1)N1CCC(F)(F)C1
InChIInChI=1S/C15H21F2N5O/c16-15(17)3-8-22(11-15)14(23)10-20-12-1-6-21(7-2-12)13-9-18-4-5-19-13/h4-5,9,12,20H,1-3,6-8,10-11H2
InChIKeyDRCPZGKAJOKUIJ-UHFFFAOYSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone (CID 67000785) is 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone is O=C(CNC1CCN(c2cnccn2)CC1)N1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone?
The InChIKey is DRCPZGKAJOKUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N5O/c16-15(17)3-8-22(11-15)14(23)10-20-12-1-6-21(7-2-12)13-9-18-4-5-19-13/h4-5,9,12,20H,1-3,6-8,10-11H2.
What are the key properties of 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone?
1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone has a molecular weight of 325.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropyrrolidin-1-yl)-2-[(1-pyrazin-2-ylpiperidin-4-yl)amino]ethanone is sourced from PubChem (CID 67000785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).