1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C20H28N4O — CID 24793170

IUPAC1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C20H28N4O/c1-15(2)17-6-8-18(9-7-17)23-19-4-3-11-24(14-19)20(25)10-5-16-12-21-22-13-16/h6-9,12-13,15,19,23H,3-5,10-11,14H2,1-2H3,(H,21,22)
InChIKeyFWFKQMZTKRTINU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.57
Rot. Bonds6

About 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 24793170) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID24793170
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C20H28N4O/c1-15(2)17-6-8-18(9-7-17)23-19-4-3-11-24(14-19)20(25)10-5-16-12-21-22-13-16/h6-9,12-13,15,19,23H,3-5,10-11,14H2,1-2H3,(H,21,22)
InChIKeyFWFKQMZTKRTINU-UHFFFAOYSA-N
XLogP3.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 24793170) is 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is CC(C)c1ccc(NC2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1.
What is the InChIKey of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is FWFKQMZTKRTINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)17-6-8-18(9-7-17)23-19-4-3-11-24(14-19)20(25)10-5-16-12-21-22-13-16/h6-9,12-13,15,19,23H,3-5,10-11,14H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 24793170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).