N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide

C18H34N4O2 — CID 75468309

IUPACN-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCC(C)N1CCCC(N2CCN(CC(=O)NC(C)(C)C)CC2)C1=O
InChIInChI=1S/C18H34N4O2/c1-14(2)22-8-6-7-15(17(22)24)21-11-9-20(10-12-21)13-16(23)19-18(3,4)5/h14-15H,6-13H2,1-5H3,(H,19,23)
InChIKeyQQBYYVVNOBKIFH-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.92
Rot. Bonds4

About N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide (PubChem CID 75468309) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
PubChem CID75468309
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
SMILESCC(C)N1CCCC(N2CCN(CC(=O)NC(C)(C)C)CC2)C1=O
InChIInChI=1S/C18H34N4O2/c1-14(2)22-8-6-7-15(17(22)24)21-11-9-20(10-12-21)13-16(23)19-18(3,4)5/h14-15H,6-13H2,1-5H3,(H,19,23)
InChIKeyQQBYYVVNOBKIFH-UHFFFAOYSA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide (CID 75468309) is N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide is CC(C)N1CCCC(N2CCN(CC(=O)NC(C)(C)C)CC2)C1=O.
What is the InChIKey of N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is QQBYYVVNOBKIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14(2)22-8-6-7-15(17(22)24)21-11-9-20(10-12-21)13-16(23)19-18(3,4)5/h14-15H,6-13H2,1-5H3,(H,19,23).
What are the key properties of N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 338.50 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75468309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).