N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C18H28N4O3 — CID 53202196

IUPACN-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCC3CCCO3)CC2)cc1=O
InChIInChI=1S/C18H28N4O3/c1-2-7-22-17(23)11-15(12-20-22)21-8-5-14(6-9-21)18(24)19-13-16-4-3-10-25-16/h11-12,14,16H,2-10,13H2,1H3,(H,19,24)
InChIKeyHZWOAQBPDZGCNC-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.16
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202196) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202196
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCC3CCCO3)CC2)cc1=O
InChIInChI=1S/C18H28N4O3/c1-2-7-22-17(23)11-15(12-20-22)21-8-5-14(6-9-21)18(24)19-13-16-4-3-10-25-16/h11-12,14,16H,2-10,13H2,1H3,(H,19,24)
InChIKeyHZWOAQBPDZGCNC-UHFFFAOYSA-N
XLogP1.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202196) is N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCC3CCCO3)CC2)cc1=O.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is HZWOAQBPDZGCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-7-22-17(23)11-15(12-20-22)21-8-5-14(6-9-21)18(24)19-13-16-4-3-10-25-16/h11-12,14,16H,2-10,13H2,1H3,(H,19,24).
What are the key properties of N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).