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

C18H24N4O2 — CID 24791174

IUPAC1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCOc1ccc(NC2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-17-7-5-15(6-8-17)21-16-3-2-10-22(13-16)18(23)9-4-14-11-19-20-12-14/h5-8,11-12,16,21H,2-4,9-10,13H2,1H3,(H,19,20)
InChIKeyZHRBCMZOXWEKOA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.45
Rot. Bonds6

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

1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 24791174) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID24791174
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCOc1ccc(NC2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1
InChIInChI=1S/C18H24N4O2/c1-24-17-7-5-15(6-8-17)21-16-3-2-10-22(13-16)18(23)9-4-14-11-19-20-12-14/h5-8,11-12,16,21H,2-4,9-10,13H2,1H3,(H,19,20)
InChIKeyZHRBCMZOXWEKOA-UHFFFAOYSA-N
XLogP2.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 24791174) is 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is COc1ccc(NC2CCCN(C(=O)CCc3cn[nH]c3)C2)cc1.
What is the InChIKey of 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is ZHRBCMZOXWEKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-17-7-5-15(6-8-17)21-16-3-2-10-22(13-16)18(23)9-4-14-11-19-20-12-14/h5-8,11-12,16,21H,2-4,9-10,13H2,1H3,(H,19,20).
What are the key properties of 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyanilino)piperidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 24791174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).