N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide

C17H26N4O2S — CID 24576501

IUPACN-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)CSc2ccccn2)CC1
InChIInChI=1S/C17H26N4O2S/c1-17(2,3)19-14(22)12-20-8-10-21(11-9-20)16(23)13-24-15-6-4-5-7-18-15/h4-7H,8-13H2,1-3H3,(H,19,22)
InChIKeyAOCGGTDEFULXQL-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.23
Rot. Bonds5

About N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide (PubChem CID 24576501) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide
PubChem CID24576501
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)CSc2ccccn2)CC1
InChIInChI=1S/C17H26N4O2S/c1-17(2,3)19-14(22)12-20-8-10-21(11-9-20)16(23)13-24-15-6-4-5-7-18-15/h4-7H,8-13H2,1-3H3,(H,19,22)
InChIKeyAOCGGTDEFULXQL-UHFFFAOYSA-N
XLogP1.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-[2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 39949088
N-tert-butyl-2-[4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]acetamide
CID 24572763
N-tert-butyl-2-[4-[2-(4-phenylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 8505748
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7753218
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 2197758
1-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 72904741
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 133133150
N-tert-butyl-2-[4-[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide
CID 43021669
2-[4-[2-[benzyl(ethyl)amino]acetyl]piperazin-1-yl]-N-tert-butylacetamide
CID 8563436
N-phenyl-2-[4-(2-pyrimidin-2-ylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide
CID 3779987
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridin-2-ylsulfanylethanone
CID 25337251

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide (CID 24576501) is N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(C(=O)CSc2ccccn2)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide?
The InChIKey is AOCGGTDEFULXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-17(2,3)19-14(22)12-20-8-10-21(11-9-20)16(23)13-24-15-6-4-5-7-18-15/h4-7H,8-13H2,1-3H3,(H,19,22).
What are the key properties of N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 1.23, 5 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-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24576501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).