N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C15H29N3O2 — CID 113122821

IUPACN-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)CCC(C)C
InChIInChI=1S/C15H29N3O2/c1-13(2)5-7-17(14(3)19)8-6-15(20)18-11-9-16(4)10-12-18/h13H,5-12H2,1-4H3
InChIKeyJPCZHFCLWLJVSL-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.05
Rot. Bonds6

About N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113122821) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID113122821
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C)CC1)CCC(C)C
InChIInChI=1S/C15H29N3O2/c1-13(2)5-7-17(14(3)19)8-6-15(20)18-11-9-16(4)10-12-18/h13H,5-12H2,1-4H3
InChIKeyJPCZHFCLWLJVSL-UHFFFAOYSA-N
XLogP1.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
CID 113122823
N-[2-(dimethylamino)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113117464
N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
CID 113122869
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451
N-[2-(2-fluorophenyl)ethyl]-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113120919
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115134
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methylpropyl)methanesulfonamide
CID 113148449
N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-prop-2-enylacetamide
CID 113115517
1-(4-methylpiperazin-1-yl)-4-(propan-2-ylamino)butan-1-one
CID 60850574
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-methylpropyl)acetamide
CID 113115975
N-(2-morpholin-4-ylethyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113117649

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 113122821) is N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C)CC1)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is JPCZHFCLWLJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(2)5-7-17(14(3)19)8-6-15(20)18-11-9-16(4)10-12-18/h13H,5-12H2,1-4H3.
What are the key properties of N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 283.42 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113122821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).