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

C23H35N3O2 — CID 113123058

IUPACN-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
SMILESCCCCCN(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C23H35N3O2/c1-3-4-8-15-25(21(2)27)16-13-23(28)26-19-17-24(18-20-26)14-9-12-22-10-6-5-7-11-22/h5-7,9-12H,3-4,8,13-20H2,1-2H3/b12-9+
InChIKeyCZXNOULSUCKBAN-FMIVXFBMSA-N
MW385.55 g/mol
LogP3.27
Rot. Bonds10

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

N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide (PubChem CID 113123058) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide.

Molecular Properties

Compound NameN-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
PubChem CID113123058
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide
SMILESCCCCCN(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(C)=O
InChIInChI=1S/C23H35N3O2/c1-3-4-8-15-25(21(2)27)16-13-23(28)26-19-17-24(18-20-26)14-9-12-22-10-6-5-7-11-22/h5-7,9-12H,3-4,8,13-20H2,1-2H3/b12-9+
InChIKeyCZXNOULSUCKBAN-FMIVXFBMSA-N
XLogP3.27
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]acetamide
CID 113122869
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
N-(3-methoxypropyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 113160057
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylacetamide
CID 108986117
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-N-pentylacetamide
CID 113123069
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
4-(4-methylphenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]butan-1-one
CID 55771645
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
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide?
The IUPAC name of N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide (CID 113123058) is N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide.
What is the SMILES notation for N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide?
The canonical SMILES for N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide is CCCCCN(CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1)C(C)=O.
What is the InChIKey of N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide?
The InChIKey is CZXNOULSUCKBAN-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-3-4-8-15-25(21(2)27)16-13-23(28)26-19-17-24(18-20-26)14-9-12-22-10-6-5-7-11-22/h5-7,9-12H,3-4,8,13-20H2,1-2H3/b12-9+.
What are the key properties of N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide?
N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide has a molecular weight of 385.55 g/mol, XLogP of 3.27, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propyl]-N-pentylacetamide is sourced from PubChem (CID 113123058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).