[3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C18H22F2N4O — CID 24790176

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)cn1
InChIInChI=1S/C18H22F2N4O/c1-12(2)24-10-13(9-21-24)18(25)23-7-3-4-15(11-23)22-14-5-6-16(19)17(20)8-14/h5-6,8-10,12,15,22H,3-4,7,11H2,1-2H3
InChIKeyHUSGTMPPZYKIPS-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.46
Rot. Bonds4

About [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 24790176) has the molecular formula C18H22F2N4O and a molecular weight of 348.40 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID24790176
Molecular FormulaC18H22F2N4O
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)cn1
InChIInChI=1S/C18H22F2N4O/c1-12(2)24-10-13(9-21-24)18(25)23-7-3-4-15(11-23)22-14-5-6-16(19)17(20)8-14/h5-6,8-10,12,15,22H,3-4,7,11H2,1-2H3
InChIKeyHUSGTMPPZYKIPS-UHFFFAOYSA-N
XLogP3.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 24790176) is [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)cn1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is HUSGTMPPZYKIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O/c1-12(2)24-10-13(9-21-24)18(25)23-7-3-4-15(11-23)22-14-5-6-16(19)17(20)8-14/h5-6,8-10,12,15,22H,3-4,7,11H2,1-2H3.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 348.40 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 [3-(3,4-difluoroanilino)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 24790176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).