N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide

C12H25N3O2 — CID 80548456

IUPACN-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCOCC(C)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-10(9-17-4)14-11(16)12(2,3)15-7-5-13-6-8-15/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyNPBHRBLGMODMHF-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.18
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide

N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80548456) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80548456
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCOCC(C)NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C12H25N3O2/c1-10(9-17-4)14-11(16)12(2,3)15-7-5-13-6-8-15/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyNPBHRBLGMODMHF-UHFFFAOYSA-N
XLogP-0.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 103810737
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
CID 80548885
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551216
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897
2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylpropanamide
CID 80550020
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916
N-(2-ethoxyethyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548764
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-piperazin-1-ylpropanamide
CID 81352101

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80548456) is N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide is COCC(C)NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is NPBHRBLGMODMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(9-17-4)14-11(16)12(2,3)15-7-5-13-6-8-15/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 243.35 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80548456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).