N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide

C18H28N6O3 — CID 73168078

IUPACN-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C18H28N6O3/c1-2-3-17(25)19-14-18(26)24-6-4-23(5-7-24)16-12-15(13-20-21-16)22-8-10-27-11-9-22/h12-13H,2-11,14H2,1H3,(H,19,25)
InChIKeySJVJORVUJOODQX-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.12
Rot. Bonds6

About N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide

N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide (PubChem CID 73168078) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide
PubChem CID73168078
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC NameN-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C18H28N6O3/c1-2-3-17(25)19-14-18(26)24-6-4-23(5-7-24)16-12-15(13-20-21-16)22-8-10-27-11-9-22/h12-13H,2-11,14H2,1H3,(H,19,25)
InChIKeySJVJORVUJOODQX-UHFFFAOYSA-N
XLogP-0.12
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide (CID 73168078) is N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide?
The InChIKey is SJVJORVUJOODQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-2-3-17(25)19-14-18(26)24-6-4-23(5-7-24)16-12-15(13-20-21-16)22-8-10-27-11-9-22/h12-13H,2-11,14H2,1H3,(H,19,25).
What are the key properties of N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide?
N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide has a molecular weight of 376.46 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]butanamide is sourced from PubChem (CID 73168078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).