N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide

C16H32N4O2 — CID 75396645

IUPACN-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide
SMILESCCN1CCN(C(=O)C(C)N(C)CCNC(=O)C(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-6-19-9-11-20(12-10-19)16(22)14(4)18(5)8-7-17-15(21)13(2)3/h13-14H,6-12H2,1-5H3,(H,17,21)
InChIKeyGEZOYTNKIZYGAB-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.24
Rot. Bonds7

About N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide

N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide (PubChem CID 75396645) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide
PubChem CID75396645
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC NameN-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide
SMILESCCN1CCN(C(=O)C(C)N(C)CCNC(=O)C(C)C)CC1
InChIInChI=1S/C16H32N4O2/c1-6-19-9-11-20(12-10-19)16(22)14(4)18(5)8-7-17-15(21)13(2)3/h13-14H,6-12H2,1-5H3,(H,17,21)
InChIKeyGEZOYTNKIZYGAB-UHFFFAOYSA-N
XLogP0.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 119911103
2-[(2-chlorophenyl)methyl-methylamino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78786364
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N,N-dimethylacetamide
CID 95901676
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425
2-[[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286389
1-(4-ethylpiperazin-1-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]propan-1-one
CID 109397804
1-(4-ethylpiperazin-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 78786374
N-[2-(dimethylamino)ethyl]-2-methylpropanamide;methane;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159310071
2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 5149334
(2S)-2-chloro-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 7986281
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[2-hydroxyethyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60683953

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide (CID 75396645) is N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide is CCN1CCN(C(=O)C(C)N(C)CCNC(=O)C(C)C)CC1.
What is the InChIKey of N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide?
The InChIKey is GEZOYTNKIZYGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-6-19-9-11-20(12-10-19)16(22)14(4)18(5)8-7-17-15(21)13(2)3/h13-14H,6-12H2,1-5H3,(H,17,21).
What are the key properties of N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide?
N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide has a molecular weight of 312.46 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-methylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 75396645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).