N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide

C11H23N3O2 — CID 79377571

IUPACN-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(C)CC(C)(C)O)CN1
InChIInChI=1S/C11H23N3O2/c1-8-5-13-9(6-12-8)10(15)14(4)7-11(2,3)16/h8-9,12-13,16H,5-7H2,1-4H3
InChIKeyQDMKGPBUPROLNA-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.83
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide (PubChem CID 79377571) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide
PubChem CID79377571
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(C)CC(C)(C)O)CN1
InChIInChI=1S/C11H23N3O2/c1-8-5-13-9(6-12-8)10(15)14(4)7-11(2,3)16/h8-9,12-13,16H,5-7H2,1-4H3
InChIKeyQDMKGPBUPROLNA-UHFFFAOYSA-N
XLogP-0.83
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-N,5-dimethylpiperazine-2-carboxamide
CID 63103311
N-[(1-hydroxycyclopentyl)methyl]-N,5-dimethylpiperazine-2-carboxamide
CID 114949604
N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
CID 79470493
N-(2-methoxyethyl)-5-methyl-N-propan-2-ylpiperazine-2-carboxamide
CID 82950818
methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
(2R)-2-[[[(2S)-aziridine-2-carbonyl]-methylamino]methyl]-3-methylbutanoic acid
CID 170063644
(2S)-N-methyl-N-pentylaziridine-2-carboxamide
CID 170218604
N-(1-amino-2-methyl-1-oxobutan-2-yl)-5-methylpiperazine-2-carboxamide
CID 112738250
N-(2-hydroxy-2-methylpropyl)-N-methylcyclohex-3-ene-1-carboxamide
CID 79290569
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
N-[2-[ethyl(methyl)amino]ethyl]-5-methylpiperazine-2-carboxamide
CID 63102583

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide (CID 79377571) is N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide is CC1CNC(C(=O)N(C)CC(C)(C)O)CN1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide?
The InChIKey is QDMKGPBUPROLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-8-5-13-9(6-12-8)10(15)14(4)7-11(2,3)16/h8-9,12-13,16H,5-7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,5-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 79377571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).