1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one

C16H31N3O2 — CID 109397804

IUPAC1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N(C)CC2CCCC2O)CC1
InChIInChI=1S/C16H31N3O2/c1-4-18-8-10-19(11-9-18)16(21)13(2)17(3)12-14-6-5-7-15(14)20/h13-15,20H,4-12H2,1-3H3
InChIKeyAYZTZHMIWGIRQZ-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.63
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one (PubChem CID 109397804) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one
PubChem CID109397804
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N(C)CC2CCCC2O)CC1
InChIInChI=1S/C16H31N3O2/c1-4-18-8-10-19(11-9-18)16(21)13(2)17(3)12-14-6-5-7-15(14)20/h13-15,20H,4-12H2,1-3H3
InChIKeyAYZTZHMIWGIRQZ-UHFFFAOYSA-N
XLogP0.63
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N,N-dimethylacetamide
CID 95901676
3-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911103
N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide
CID 75396645
4-(4-ethylpiperazin-1-yl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 109400509
2-[(2-chlorophenyl)methyl-methylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78786364
1-(4-ethylpiperazin-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 78786374
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 109397933
2-[[butan-2-yl(methyl)amino]methyl]cycloheptan-1-ol
CID 62611279
2-[[methyl(pentan-2-yl)amino]methyl]cyclohexan-1-ol
CID 62608844
N-(3,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 109398054
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one (CID 109397804) is 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one is CCN1CCN(C(=O)C(C)N(C)CC2CCCC2O)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one?
The InChIKey is AYZTZHMIWGIRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-18-8-10-19(11-9-18)16(21)13(2)17(3)12-14-6-5-7-15(14)20/h13-15,20H,4-12H2,1-3H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one has a molecular weight of 297.44 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one is sourced from PubChem (CID 109397804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).