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

C18H29N5O2 — CID 53202144

IUPAC5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1=O
InChIInChI=1S/C18H29N5O2/c1-3-6-23-17(24)13-16(14-19-23)21-7-4-15(5-8-21)18(25)22-11-9-20(2)10-12-22/h13-15H,3-12H2,1-2H3
InChIKeyRTCPCALWDGVUSW-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.64
Rot. Bonds4

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

5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202144) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202144
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1=O
InChIInChI=1S/C18H29N5O2/c1-3-6-23-17(24)13-16(14-19-23)21-7-4-15(5-8-21)18(25)22-11-9-20(2)10-12-22/h13-15H,3-12H2,1-2H3
InChIKeyRTCPCALWDGVUSW-UHFFFAOYSA-N
XLogP0.64
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202144) is 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1=O.
What is the InChIKey of 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is RTCPCALWDGVUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-6-23-17(24)13-16(14-19-23)21-7-4-15(5-8-21)18(25)22-11-9-20(2)10-12-22/h13-15H,3-12H2,1-2H3.
What are the key properties of 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 347.46 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).