N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide

C16H27N5O — CID 146040015

IUPACN-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCc1cnnc(N2CCN(CC(=O)NC(C)(C)C)CC2)c1C
InChIInChI=1S/C16H27N5O/c1-12-10-17-19-15(13(12)2)21-8-6-20(7-9-21)11-14(22)18-16(3,4)5/h10H,6-9,11H2,1-5H3,(H,18,22)
InChIKeyFXEFVVMKEOUBAF-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.13
Rot. Bonds3

About N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide (PubChem CID 146040015) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
PubChem CID146040015
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCc1cnnc(N2CCN(CC(=O)NC(C)(C)C)CC2)c1C
InChIInChI=1S/C16H27N5O/c1-12-10-17-19-15(13(12)2)21-8-6-20(7-9-21)11-14(22)18-16(3,4)5/h10H,6-9,11H2,1-5H3,(H,18,22)
InChIKeyFXEFVVMKEOUBAF-UHFFFAOYSA-N
XLogP1.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 9338035
N-tert-butyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78787324
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 155097087
2-[4-[2-(tert-butylamino)-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;yttrium
CID 59282721
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
CID 134714431
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 169215788
N-tert-butyl-2-(4-oxopiperidin-1-yl)acetamide
CID 24704213
N-tert-butyl-2-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 8843351
N-tert-butyl-2-[4-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]piperazin-1-yl]acetamide
CID 9119546

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide (CID 146040015) is N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide is Cc1cnnc(N2CCN(CC(=O)NC(C)(C)C)CC2)c1C.
What is the InChIKey of N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is FXEFVVMKEOUBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-10-17-19-15(13(12)2)21-8-6-20(7-9-21)11-14(22)18-16(3,4)5/h10H,6-9,11H2,1-5H3,(H,18,22).
What are the key properties of N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 305.43 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(4,5-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 146040015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).