N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide

C11H23N3O2 — CID 82163304

IUPACN-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCN1CCN(CCO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2)11(16)12-9-14-5-3-13(4-6-14)7-8-15/h10,15H,3-9H2,1-2H3,(H,12,16)
InChIKeyCEMFUFYGHOQJDM-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.67
Rot. Bonds5

About N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide

N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide (PubChem CID 82163304) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide
PubChem CID82163304
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCN1CCN(CCO)CC1
InChIInChI=1S/C11H23N3O2/c1-10(2)11(16)12-9-14-5-3-13(4-6-14)7-8-15/h10,15H,3-9H2,1-2H3,(H,12,16)
InChIKeyCEMFUFYGHOQJDM-UHFFFAOYSA-N
XLogP-0.67
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
4-tert-butyl-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]benzamide
CID 94778291
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
ethane;2-methyl-N-[3-[4-[3-(prop-1-en-2-ylamino)propyl]piperazin-1-yl]propyl]propanamide
CID 170603278
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883
2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 4739630
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide (CID 82163304) is N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCN1CCN(CCO)CC1.
What is the InChIKey of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide?
The InChIKey is CEMFUFYGHOQJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2)11(16)12-9-14-5-3-13(4-6-14)7-8-15/h10,15H,3-9H2,1-2H3,(H,12,16).
What are the key properties of N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide?
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide has a molecular weight of 229.32 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 82163304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).