2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide

C14H27N3O2 — CID 131891688

IUPAC2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
SMILESCCN1CCN(CC(=O)NCC2(CO)CCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-2-16-6-8-17(9-7-16)10-13(19)15-11-14(12-18)4-3-5-14/h18H,2-12H2,1H3,(H,15,19)
InChIKeyDWPXSRKWUAULDW-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.10
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide

2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide (PubChem CID 131891688) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
PubChem CID131891688
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide
SMILESCCN1CCN(CC(=O)NCC2(CO)CCC2)CC1
InChIInChI=1S/C14H27N3O2/c1-2-16-6-8-17(9-7-16)10-13(19)15-11-14(12-18)4-3-5-14/h18H,2-12H2,1H3,(H,15,19)
InChIKeyDWPXSRKWUAULDW-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
2-(azepan-1-yl)-N-[[1-(ethoxymethyl)cyclobutyl]methyl]acetamide
CID 122571339
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 125446181
2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]acetic acid
CID 82041147
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
CID 115359705
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
2-(azetidin-1-yl)-N-ethylacetamide
CID 129266397
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2-(4-ethylpiperazin-1-yl)-N-pentylacetamide
CID 108995511

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide (CID 131891688) is 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide is CCN1CCN(CC(=O)NCC2(CO)CCC2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide?
The InChIKey is DWPXSRKWUAULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-16-6-8-17(9-7-16)10-13(19)15-11-14(12-18)4-3-5-14/h18H,2-12H2,1H3,(H,15,19).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide?
2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide has a molecular weight of 269.39 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[[1-(hydroxymethyl)cyclobutyl]methyl]acetamide is sourced from PubChem (CID 131891688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).