N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide

C12H23N3O2 — CID 56868111

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(CC1(CO)CC1)C(=O)CN1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-14(9-12(10-16)2-3-12)11(17)8-15-6-4-13-5-7-15/h13,16H,2-10H2,1H3
InChIKeyFOMIRWVZZDMOMF-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.88
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide (PubChem CID 56868111) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide
PubChem CID56868111
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide
SMILESCN(CC1(CO)CC1)C(=O)CN1CCNCC1
InChIInChI=1S/C12H23N3O2/c1-14(9-12(10-16)2-3-12)11(17)8-15-6-4-13-5-7-15/h13,16H,2-10H2,1H3
InChIKeyFOMIRWVZZDMOMF-UHFFFAOYSA-N
XLogP-0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N1-((1-(hydroxymethyl)cyclopropyl)methyl)-N2-methyloxalamide
CID 49670952
(2S)-N-{[1-(Hydroxymethyl)cyclopropyl]methyl}-N-methylpiperidine-2-carboxamide
CID 56880274
2-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-N-propylacetamide
CID 71783297
N-(3-hydroxypropyl)-2-piperazin-1-ylacetamide
CID 60850365
N-(3-hydroxypropyl)-2-oxo-2-piperazin-1-ylacetamide
CID 69091589
1-(3-Hydroxypropyl)-6-methylpiperazin-2-one
CID 70390564
N-(3-hydroxypropyl)-2-piperidin-1-ylacetamide
CID 132135990
2-[4-(4-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 134583077
N,N-dimethylmethanamine;N-(3-hydroxypropyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 145399713
2-[4-(3,3-dimethylbutyl)piperazin-1-yl]-N-(3-hydroxypropyl)acetamide;ethane;molecular hydrogen
CID 153565795
2-[4-(3-hydroxypropyl)piperazin-1-yl]-N-methylacetamide
CID 155013242
7-(3-Hydroxy-2-methylpropyl)-1,4,7,10-tetrazabicyclo[8.2.2]tetradecan-11-one
CID 163598649

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide (CID 56868111) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide is CN(CC1(CO)CC1)C(=O)CN1CCNCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide?
The InChIKey is FOMIRWVZZDMOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-14(9-12(10-16)2-3-12)11(17)8-15-6-4-13-5-7-15/h13,16H,2-10H2,1H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide has a molecular weight of 241.33 g/mol, XLogP of -0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-N-methyl-2-piperazin-1-ylacetamide is sourced from PubChem (CID 56868111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).