5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one

C20H33N5O2 — CID 53202200

IUPAC5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1=O
InChIInChI=1S/C20H33N5O2/c1-4-7-25-19(26)14-18(15-21-25)23-8-5-17(6-9-23)20(27)24-12-10-22(11-13-24)16(2)3/h14-17H,4-13H2,1-3H3
InChIKeyXOYRGTKYWOXJAN-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.42
Rot. Bonds5

About 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one

5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202200) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202200
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1=O
InChIInChI=1S/C20H33N5O2/c1-4-7-25-19(26)14-18(15-21-25)23-8-5-17(6-9-23)20(27)24-12-10-22(11-13-24)16(2)3/h14-17H,4-13H2,1-3H3
InChIKeyXOYRGTKYWOXJAN-UHFFFAOYSA-N
XLogP1.42
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202200) is 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCN(C(C)C)CC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is XOYRGTKYWOXJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-7-25-19(26)14-18(15-21-25)23-8-5-17(6-9-23)20(27)24-12-10-22(11-13-24)16(2)3/h14-17H,4-13H2,1-3H3.
What are the key properties of 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 375.52 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propan-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).