1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one

C20H33N5O2 — CID 176575573

IUPAC1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(CN2CCN(c3cnnc(OC(C)C)c3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-16(2)27-20-12-19(13-21-22-20)25-10-8-24(9-11-25)15-18-4-6-23(7-5-18)14-17(3)26/h12-13,16,18H,4-11,14-15H2,1-3H3
InChIKeyCWTUAEUKVRFGLP-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.69
Rot. Bonds7

About 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one

1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one (PubChem CID 176575573) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
PubChem CID176575573
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
SMILESCC(=O)CN1CCC(CN2CCN(c3cnnc(OC(C)C)c3)CC2)CC1
InChIInChI=1S/C20H33N5O2/c1-16(2)27-20-12-19(13-21-22-20)25-10-8-24(9-11-25)15-18-4-6-23(7-5-18)14-17(3)26/h12-13,16,18H,4-11,14-15H2,1-3H3
InChIKeyCWTUAEUKVRFGLP-UHFFFAOYSA-N
XLogP1.69
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one?
The IUPAC name of 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one (CID 176575573) is 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one.
What is the SMILES notation for 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one?
The canonical SMILES for 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one is CC(=O)CN1CCC(CN2CCN(c3cnnc(OC(C)C)c3)CC2)CC1.
What is the InChIKey of 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one?
The InChIKey is CWTUAEUKVRFGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-16(2)27-20-12-19(13-21-22-20)25-10-8-24(9-11-25)15-18-4-6-23(7-5-18)14-17(3)26/h12-13,16,18H,4-11,14-15H2,1-3H3.
What are the key properties of 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one?
1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one has a molecular weight of 375.52 g/mol, XLogP of 1.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(6-propan-2-yloxypyridazin-4-yl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one is sourced from PubChem (CID 176575573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).