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

C19H29N5O3 — CID 53202205

IUPAC5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)cc1=O
InChIInChI=1S/C19H29N5O3/c1-3-6-24-18(26)13-17(14-20-24)22-7-4-16(5-8-22)19(27)23-11-9-21(10-12-23)15(2)25/h13-14,16H,3-12H2,1-2H3
InChIKeyKZPNGIDWROCUDD-UHFFFAOYSA-N
MW375.47 g/mol
LogP0.56
Rot. Bonds4

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

5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202205) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202205
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)cc1=O
InChIInChI=1S/C19H29N5O3/c1-3-6-24-18(26)13-17(14-20-24)22-7-4-16(5-8-22)19(27)23-11-9-21(10-12-23)15(2)25/h13-14,16H,3-12H2,1-2H3
InChIKeyKZPNGIDWROCUDD-UHFFFAOYSA-N
XLogP0.56
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202205) is 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCN(C(C)=O)CC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is KZPNGIDWROCUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-6-24-18(26)13-17(14-20-24)22-7-4-16(5-8-22)19(27)23-11-9-21(10-12-23)15(2)25/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 375.47 g/mol, XLogP of 0.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).