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

C21H35N5O2 — CID 53202206

IUPAC5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(CC(C)C)CC3)CC2)cc1=O
InChIInChI=1S/C21H35N5O2/c1-4-7-26-20(27)14-19(15-22-26)24-8-5-18(6-9-24)21(28)25-12-10-23(11-13-25)16-17(2)3/h14-15,17-18H,4-13,16H2,1-3H3
InChIKeyQGUKKSVCLYNJSO-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.67
Rot. Bonds6

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

5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one (PubChem CID 53202206) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
PubChem CID53202206
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(C(=O)N3CCN(CC(C)C)CC3)CC2)cc1=O
InChIInChI=1S/C21H35N5O2/c1-4-7-26-20(27)14-19(15-22-26)24-8-5-18(6-9-24)21(28)25-12-10-23(11-13-25)16-17(2)3/h14-15,17-18H,4-13,16H2,1-3H3
InChIKeyQGUKKSVCLYNJSO-UHFFFAOYSA-N
XLogP1.67
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
The IUPAC name of 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one (CID 53202206) is 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
The canonical SMILES for 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(C(=O)N3CCN(CC(C)C)CC3)CC2)cc1=O.
What is the InChIKey of 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
The InChIKey is QGUKKSVCLYNJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-4-7-26-20(27)14-19(15-22-26)24-8-5-18(6-9-24)21(28)25-12-10-23(11-13-25)16-17(2)3/h14-15,17-18H,4-13,16H2,1-3H3.
What are the key properties of 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one?
5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one has a molecular weight of 389.54 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidin-1-yl]-2-propylpyridazin-3-one is sourced from PubChem (CID 53202206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).