1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C14H22F2N4O — CID 145332322

IUPAC1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCC(NCC(C)(F)F)CC2)c1
InChIInChI=1S/C14H22F2N4O/c1-11-7-18-20(8-11)9-13(21)19-5-3-12(4-6-19)17-10-14(2,15)16/h7-8,12,17H,3-6,9-10H2,1-2H3
InChIKeyUQNSIUPFQSHSNJ-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.43
Rot. Bonds5

About 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 145332322) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID145332322
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC Name1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CCC(NCC(C)(F)F)CC2)c1
InChIInChI=1S/C14H22F2N4O/c1-11-7-18-20(8-11)9-13(21)19-5-3-12(4-6-19)17-10-14(2,15)16/h7-8,12,17H,3-6,9-10H2,1-2H3
InChIKeyUQNSIUPFQSHSNJ-UHFFFAOYSA-N
XLogP1.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 145332322) is 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CCC(NCC(C)(F)F)CC2)c1.
What is the InChIKey of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is UQNSIUPFQSHSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-11-7-18-20(8-11)9-13(21)19-5-3-12(4-6-19)17-10-14(2,15)16/h7-8,12,17H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 300.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropylamino)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 145332322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).