N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide

C17H26N4O2 — CID 2161759

IUPACN-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)19-16(23)18-15(22)13-20-9-11-21(12-10-20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,18,19,22,23)
InChIKeyLSKHSLGRQVEDGT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.43
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide

N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 2161759) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID2161759
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)19-16(23)18-15(22)13-20-9-11-21(12-10-20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,18,19,22,23)
InChIKeyLSKHSLGRQVEDGT-UHFFFAOYSA-N
XLogP1.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide (CID 2161759) is N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is LSKHSLGRQVEDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)19-16(23)18-15(22)13-20-9-11-21(12-10-20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H2,18,19,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(4-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2161759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).