N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

C18H26N4O2 — CID 78611022

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-14(2)18(3,13-19)20-17(24)12-21-8-10-22(11-9-21)15-4-6-16(23)7-5-15/h4-7,14,23H,8-12H2,1-3H3,(H,20,24)
InChIKeyOZSOWPSLNGMREU-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.57
Rot. Bonds5

About N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 78611022) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID78611022
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H26N4O2/c1-14(2)18(3,13-19)20-17(24)12-21-8-10-22(11-9-21)15-4-6-16(23)7-5-15/h4-7,14,23H,8-12H2,1-3H3,(H,20,24)
InChIKeyOZSOWPSLNGMREU-UHFFFAOYSA-N
XLogP1.57
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78787324
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 94506791
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]acetamide
CID 52523327
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 55356771
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877421
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8690332
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
CID 107407960
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide (CID 78611022) is N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is CC(C)C(C)(C#N)NC(=O)CN1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is OZSOWPSLNGMREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)18(3,13-19)20-17(24)12-21-8-10-22(11-9-21)15-4-6-16(23)7-5-15/h4-7,14,23H,8-12H2,1-3H3,(H,20,24).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78611022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).