2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C15H31N3O2 — CID 63101713

IUPAC2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H31N3O2/c1-6-14(2,3)16-13(19)11-17-7-9-18(10-8-17)12-15(4,5)20/h20H,6-12H2,1-5H3,(H,16,19)
InChIKeyKUPGRNMOQDKXNT-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.68
Rot. Bonds6

About 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 63101713) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID63101713
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(CC(C)(C)O)CC1
InChIInChI=1S/C15H31N3O2/c1-6-14(2,3)16-13(19)11-17-7-9-18(10-8-17)12-15(4,5)20/h20H,6-12H2,1-5H3,(H,16,19)
InChIKeyKUPGRNMOQDKXNT-UHFFFAOYSA-N
XLogP0.68
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55204264
N-(ethylcarbamoyl)-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]acetamide
CID 63102245
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 55201592
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 79411155
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
2-(1,4-diazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119906765
methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
2-[4-(1-amino-1-sulfanylidenepropan-2-yl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 63342087
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 63101713) is 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CN1CCN(CC(C)(C)O)CC1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is KUPGRNMOQDKXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-14(2,3)16-13(19)11-17-7-9-18(10-8-17)12-15(4,5)20/h20H,6-12H2,1-5H3,(H,16,19).
What are the key properties of 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 285.43 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63101713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).