N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C14H28N4O2 — CID 113117464

IUPACN-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)CCN(C)C
InChIInChI=1S/C14H28N4O2/c1-13(19)17(10-7-15(2)3)6-5-14(20)18-11-8-16(4)9-12-18/h5-12H2,1-4H3
InChIKeyLKFWGQAJAWGJFJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.44
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113117464) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID113117464
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)CCN(C)C
InChIInChI=1S/C14H28N4O2/c1-13(19)17(10-7-15(2)3)6-5-14(20)18-11-8-16(4)9-12-18/h5-12H2,1-4H3
InChIKeyLKFWGQAJAWGJFJ-UHFFFAOYSA-N
XLogP-0.44
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113122821
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117515
1-(4-acetylpiperazin-1-yl)-3-(dimethylamino)propan-1-one
CID 110603330
ethyl 4-[3-[acetyl-[3-(dimethylamino)propyl]amino]propanoyl]piperazine-1-carboxylate
CID 113117857
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113120919
N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
CID 130390843
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 113117464) is N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C)CC1)CCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is LKFWGQAJAWGJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-13(19)17(10-7-15(2)3)6-5-14(20)18-11-8-16(4)9-12-18/h5-12H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of -0.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113117464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).