(4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone

C13H21N3O — CID 39891793

IUPAC(4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-3-7-16-10-6-12(14-16)13(17)15-8-4-11(2)5-9-15/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyOLERTZUCOUEBJR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds3

About (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone

(4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone (PubChem CID 39891793) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
PubChem CID39891793
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone
SMILESCCCn1ccc(C(=O)N2CCC(C)CC2)n1
InChIInChI=1S/C13H21N3O/c1-3-7-16-10-6-12(14-16)13(17)15-8-4-11(2)5-9-15/h6,10-11H,3-5,7-9H2,1-2H3
InChIKeyOLERTZUCOUEBJR-UHFFFAOYSA-N
XLogP2.17
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone (CID 39891793) is (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone is CCCn1ccc(C(=O)N2CCC(C)CC2)n1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone?
The InChIKey is OLERTZUCOUEBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-16-10-6-12(14-16)13(17)15-8-4-11(2)5-9-15/h6,10-11H,3-5,7-9H2,1-2H3.
What are the key properties of (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone?
(4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 39891793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).