N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C17H26N4O3 — CID 2086382

IUPACN-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)19-16(24)18-15(23)12-20-8-10-21(11-9-20)13-4-6-14(22)7-5-13/h4-7,22H,8-12H2,1-3H3,(H2,18,19,23,24)
InChIKeyIRAISASWLZJKLO-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.14
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2086382) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2086382
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)19-16(24)18-15(23)12-20-8-10-21(11-9-20)13-4-6-14(22)7-5-13/h4-7,22H,8-12H2,1-3H3,(H2,18,19,23,24)
InChIKeyIRAISASWLZJKLO-UHFFFAOYSA-N
XLogP1.14
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2086382) is N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is CC(C)(C)NC(=O)NC(=O)CN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is IRAISASWLZJKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)19-16(24)18-15(23)12-20-8-10-21(11-9-20)13-4-6-14(22)7-5-13/h4-7,22H,8-12H2,1-3H3,(H2,18,19,23,24).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2086382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).