1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

C19H23N3O2 — CID 70763897

IUPAC1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESCn1cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)cn1
InChIInChI=1S/C19H23N3O2/c1-21-13-17(12-20-21)19(24)22-11-5-8-16(14-22)18(23)10-9-15-6-3-2-4-7-15/h2-4,6-7,12-13,16H,5,8-11,14H2,1H3
InChIKeyBIOTUCIGTKXKTF-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds5

About 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one

1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (PubChem CID 70763897) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
PubChem CID70763897
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one
SMILESCn1cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)cn1
InChIInChI=1S/C19H23N3O2/c1-21-13-17(12-20-21)19(24)22-11-5-8-16(14-22)18(23)10-9-15-6-3-2-4-7-15/h2-4,6-7,12-13,16H,5,8-11,14H2,1H3
InChIKeyBIOTUCIGTKXKTF-UHFFFAOYSA-N
XLogP2.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one (CID 70763897) is 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is Cn1cc(C(=O)N2CCCC(C(=O)CCc3ccccc3)C2)cn1.
What is the InChIKey of 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
The InChIKey is BIOTUCIGTKXKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21-13-17(12-20-21)19(24)22-11-5-8-16(14-22)18(23)10-9-15-6-3-2-4-7-15/h2-4,6-7,12-13,16H,5,8-11,14H2,1H3.
What are the key properties of 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one?
1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one has a molecular weight of 325.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylpyrazole-4-carbonyl)piperidin-3-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 70763897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).