N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide

C23H35N3O2 — CID 113122869

IUPACN-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)CCC(C)C
InChIInChI=1S/C23H35N3O2/c1-20(2)11-14-25(21(3)27)15-12-23(28)26-18-16-24(17-19-26)13-7-10-22-8-5-4-6-9-22/h4-10,20H,11-19H2,1-3H3/b10-7+
InChIKeyJEIOSUMUSFCYFJ-JXMROGBWSA-N
MW385.55 g/mol
LogP3.13
Rot. Bonds9

About N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide

N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide (PubChem CID 113122869) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
PubChem CID113122869
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)CCC(C)C
InChIInChI=1S/C23H35N3O2/c1-20(2)11-14-25(21(3)27)15-12-23(28)26-18-16-24(17-19-26)13-7-10-22-8-5-4-6-9-22/h4-10,20H,11-19H2,1-3H3/b10-7+
InChIKeyJEIOSUMUSFCYFJ-JXMROGBWSA-N
XLogP3.13
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
CID 113123058
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylbutyl)acetamide
CID 113122823
3-hydroxy-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]butan-1-one
CID 71393433
N-(3-methylbutyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113122821
N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 113160057
N-cyclopropyl-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]methanesulfonamide
CID 113136310
3-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propyl]sulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 4116088
N-(2-methylpropyl)-2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108983973
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
The IUPAC name of N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide (CID 113122869) is N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
The canonical SMILES for N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)CCC(C)C.
What is the InChIKey of N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
The InChIKey is JEIOSUMUSFCYFJ-JXMROGBWSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-20(2)11-14-25(21(3)27)15-12-23(28)26-18-16-24(17-19-26)13-7-10-22-8-5-4-6-9-22/h4-10,20H,11-19H2,1-3H3/b10-7+.
What are the key properties of N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide?
N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide has a molecular weight of 385.55 g/mol, XLogP of 3.13, 9 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-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide is sourced from PubChem (CID 113122869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).