1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

C16H23N5O — CID 70748761

IUPAC1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCCC(c3nccn3C)C2)cn1
InChIInChI=1S/C16H23N5O/c1-19-9-7-17-16(19)14-4-3-8-21(12-14)15(22)6-5-13-10-18-20(2)11-13/h7,9-11,14H,3-6,8,12H2,1-2H3
InChIKeyBUQJDQOHJSCUPP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.49
Rot. Bonds4

About 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 70748761) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID70748761
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCCC(c3nccn3C)C2)cn1
InChIInChI=1S/C16H23N5O/c1-19-9-7-17-16(19)14-4-3-8-21(12-14)15(22)6-5-13-10-18-20(2)11-13/h7,9-11,14H,3-6,8,12H2,1-2H3
InChIKeyBUQJDQOHJSCUPP-UHFFFAOYSA-N
XLogP1.49
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 70748761) is 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)N2CCCC(c3nccn3C)C2)cn1.
What is the InChIKey of 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is BUQJDQOHJSCUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-19-9-7-17-16(19)14-4-3-8-21(12-14)15(22)6-5-13-10-18-20(2)11-13/h7,9-11,14H,3-6,8,12H2,1-2H3.
What are the key properties of 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 70748761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).