(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone

C16H28N4O — CID 102801020

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2cn(C)nc2C)CC1CC
InChIInChI=1S/C16H28N4O/c1-5-8-17-15-7-9-20(10-13(15)6-2)16(21)14-11-19(4)18-12(14)3/h11,13,15,17H,5-10H2,1-4H3
InChIKeyFLMYXMBBMCFLMF-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.97
Rot. Bonds5

About (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone (PubChem CID 102801020) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
PubChem CID102801020
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2cn(C)nc2C)CC1CC
InChIInChI=1S/C16H28N4O/c1-5-8-17-15-7-9-20(10-13(15)6-2)16(21)14-11-19(4)18-12(14)3/h11,13,15,17H,5-10H2,1-4H3
InChIKeyFLMYXMBBMCFLMF-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone (CID 102801020) is (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2cn(C)nc2C)CC1CC.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is FLMYXMBBMCFLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-8-17-15-7-9-20(10-13(15)6-2)16(21)14-11-19(4)18-12(14)3/h11,13,15,17H,5-10H2,1-4H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 292.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 102801020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).