(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

C16H26N4O — CID 128544432

IUPAC(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C1CCN(C(=O)C2(C)CCCNC2)CC1
InChIInChI=1S/C16H26N4O/c1-16(7-3-8-17-12-16)15(21)20-10-5-13(6-11-20)14-4-9-18-19(14)2/h4,9,13,17H,3,5-8,10-12H2,1-2H3
InChIKeyUIEYAZKECCMJMN-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.52
Rot. Bonds2

About (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone

(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 128544432) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID128544432
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
SMILESCn1nccc1C1CCN(C(=O)C2(C)CCCNC2)CC1
InChIInChI=1S/C16H26N4O/c1-16(7-3-8-17-12-16)15(21)20-10-5-13(6-11-20)14-4-9-18-19(14)2/h4,9,13,17H,3,5-8,10-12H2,1-2H3
InChIKeyUIEYAZKECCMJMN-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone (CID 128544432) is (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is Cn1nccc1C1CCN(C(=O)C2(C)CCCNC2)CC1.
What is the InChIKey of (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is UIEYAZKECCMJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(7-3-8-17-12-16)15(21)20-10-5-13(6-11-20)14-4-9-18-19(14)2/h4,9,13,17H,3,5-8,10-12H2,1-2H3.
What are the key properties of (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone?
(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128544432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).