N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

C13H27N3O2 — CID 80551052

IUPACN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(CC(C)(C)O)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-12(2,18)10-15(5)11(17)13(3,4)16-8-6-14-7-9-16/h14,18H,6-10H2,1-5H3
InChIKeyRMDIMNSVZCITGJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (PubChem CID 80551052) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
PubChem CID80551052
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(CC(C)(C)O)C(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C13H27N3O2/c1-12(2,18)10-15(5)11(17)13(3,4)16-8-6-14-7-9-16/h14,18H,6-10H2,1-5H3
InChIKeyRMDIMNSVZCITGJ-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548281
N-[2-(ethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548617
N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-2-piperazin-1-ylpropanamide
CID 80548187
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548772
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548872
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
N-[(5-bromofuran-2-yl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548846
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402
N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548520
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80549935
N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80547263
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80550035

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (CID 80551052) is N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is CN(CC(C)(C)O)C(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The InChIKey is RMDIMNSVZCITGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-12(2,18)10-15(5)11(17)13(3,4)16-8-6-14-7-9-16/h14,18H,6-10H2,1-5H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80551052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).