1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate

C14H27N3O3 — CID 174549237

IUPAC1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate
SMILESCC(=O)N1CCN(CC(C)OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(20-13(19)15-14(3,4)5)10-16-6-8-17(9-7-16)12(2)18/h11H,6-10H2,1-5H3,(H,15,19)
InChIKeyQGRHRECXOYEGTL-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.06
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate

1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate (PubChem CID 174549237) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate
PubChem CID174549237
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate
SMILESCC(=O)N1CCN(CC(C)OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H27N3O3/c1-11(20-13(19)15-14(3,4)5)10-16-6-8-17(9-7-16)12(2)18/h11H,6-10H2,1-5H3,(H,15,19)
InChIKeyQGRHRECXOYEGTL-UHFFFAOYSA-N
XLogP1.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate (CID 174549237) is 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate is CC(=O)N1CCN(CC(C)OC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate?
The InChIKey is QGRHRECXOYEGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(20-13(19)15-14(3,4)5)10-16-6-8-17(9-7-16)12(2)18/h11H,6-10H2,1-5H3,(H,15,19).
What are the key properties of 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate?
1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate has a molecular weight of 285.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)propan-2-yl N-tert-butylcarbamate is sourced from PubChem (CID 174549237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).