2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide

C18H28N4O2 — CID 91917520

IUPAC2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H28N4O2/c1-2-7-19-17(23)9-15-4-3-8-21(12-15)16-10-18(24)22(20-11-16)13-14-5-6-14/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,23)
InChIKeyCTSOQNUUJUCTME-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.79
Rot. Bonds7

About 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide

2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide (PubChem CID 91917520) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide
PubChem CID91917520
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1
InChIInChI=1S/C18H28N4O2/c1-2-7-19-17(23)9-15-4-3-8-21(12-15)16-10-18(24)22(20-11-16)13-14-5-6-14/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,23)
InChIKeyCTSOQNUUJUCTME-UHFFFAOYSA-N
XLogP1.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide 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 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide?
The IUPAC name of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide (CID 91917520) is 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide is CCCNC(=O)CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1.
What is the InChIKey of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide?
The InChIKey is CTSOQNUUJUCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-7-19-17(23)9-15-4-3-8-21(12-15)16-10-18(24)22(20-11-16)13-14-5-6-14/h10-11,14-15H,2-9,12-13H2,1H3,(H,19,23).
What are the key properties of 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide?
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide has a molecular weight of 332.45 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-propylacetamide is sourced from PubChem (CID 91917520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).