N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide

C16H25N5O2 — CID 155952713

IUPACN-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-2-23-15-8-7-14(18-19-15)20-9-11-21(12-10-20)16(22)17-13-5-3-4-6-13/h7-8,13H,2-6,9-12H2,1H3,(H,17,22)
InChIKeyKZKCSJUDPAHEJR-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.65
Rot. Bonds4

About N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide

N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 155952713) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
PubChem CID155952713
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)nn1
InChIInChI=1S/C16H25N5O2/c1-2-23-15-8-7-14(18-19-15)20-9-11-21(12-10-20)16(22)17-13-5-3-4-6-13/h7-8,13H,2-6,9-12H2,1H3,(H,17,22)
InChIKeyKZKCSJUDPAHEJR-UHFFFAOYSA-N
XLogP1.65
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide (CID 155952713) is N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)nn1.
What is the InChIKey of N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is KZKCSJUDPAHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-23-15-8-7-14(18-19-15)20-9-11-21(12-10-20)16(22)17-13-5-3-4-6-13/h7-8,13H,2-6,9-12H2,1H3,(H,17,22).
What are the key properties of N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 155952713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).