N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

C12H25N3O3 — CID 80548772

IUPACN,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)N(CCO)CCO)N1CCNCC1
InChIInChI=1S/C12H25N3O3/c1-12(2,15-5-3-13-4-6-15)11(18)14(7-9-16)8-10-17/h13,16-17H,3-10H2,1-2H3
InChIKeyKWMYGYIKLULYLZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP-1.52
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide

N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548772) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548772
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC NameN,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)N(CCO)CCO)N1CCNCC1
InChIInChI=1S/C12H25N3O3/c1-12(2,15-5-3-13-4-6-15)11(18)14(7-9-16)8-10-17/h13,16-17H,3-10H2,1-2H3
InChIKeyKWMYGYIKLULYLZ-UHFFFAOYSA-N
XLogP-1.52
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-N-(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 102862098
N-butyl-N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548520
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548281
2-methyl-N-pentyl-2-piperazin-1-yl-N-propan-2-ylpropanamide
CID 80548733
N-cyclopropyl-N-(2-methoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548684
N-butan-2-yl-N-butyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548717
N-cyclopropyl-N-(cyclopropylmethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80549935
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
bis(2-hydroxyethyl)carbamic acid;piperazine
CID 67592047
2-methyl-2-piperazin-1-ylhept-6-en-3-one
CID 116599139

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548772) is N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)N(CCO)CCO)N1CCNCC1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is KWMYGYIKLULYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-12(2,15-5-3-13-4-6-15)11(18)14(7-9-16)8-10-17/h13,16-17H,3-10H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide?
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 259.35 g/mol, XLogP of -1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).