N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide

C15H25Cl2N3O2 — CID 43020011

IUPACN-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C15H25Cl2N3O2/c1-13(2,3)18-11(21)9-19-5-7-20(8-6-19)12(22)14(4)10-15(14,16)17/h5-10H2,1-4H3,(H,18,21)
InChIKeySSZNZYHDAAAQRS-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.63
Rot. Bonds3

About N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide (PubChem CID 43020011) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
PubChem CID43020011
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC NameN-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1
InChIInChI=1S/C15H25Cl2N3O2/c1-13(2,3)18-11(21)9-19-5-7-20(8-6-19)12(22)14(4)10-15(14,16)17/h5-10H2,1-4H3,(H,18,21)
InChIKeySSZNZYHDAAAQRS-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide (CID 43020011) is N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCN(C(=O)C2(C)CC2(Cl)Cl)CC1.
What is the InChIKey of N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide?
The InChIKey is SSZNZYHDAAAQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N3O2/c1-13(2,3)18-11(21)9-19-5-7-20(8-6-19)12(22)14(4)10-15(14,16)17/h5-10H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide has a molecular weight of 350.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2,2-dichloro-1-methylcyclopropanecarbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 43020011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).