N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide

C13H27N3O2 — CID 80551216

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)C(CO)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)11(9-17)15-12(18)13(3,4)16-7-5-14-6-8-16/h10-11,14,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyQVVVMPZCIZPGFA-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.20
Rot. Bonds5

About N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide

N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80551216) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80551216
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)C(CO)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-10(2)11(9-17)15-12(18)13(3,4)16-7-5-14-6-8-16/h10-11,14,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyQVVVMPZCIZPGFA-UHFFFAOYSA-N
XLogP-0.20
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80551216) is N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)C(CO)NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is QVVVMPZCIZPGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(2)11(9-17)15-12(18)13(3,4)16-7-5-14-6-8-16/h10-11,14,17H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 257.38 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80551216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).