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

C21H34N4O — CID 109016909

IUPACN-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCN(C)CCCNC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H34N4O/c1-23(2)13-7-12-22-21(26)11-15-25-18-16-24(17-19-25)14-6-10-20-8-4-3-5-9-20/h3-6,8-10H,7,11-19H2,1-2H3,(H,22,26)/b10-6+
InChIKeyJBNXDUMGVSFDSO-UXBLZVDNSA-N
MW358.53 g/mol
LogP1.78
Rot. Bonds10

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

N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 109016909) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID109016909
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESCN(C)CCCNC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H34N4O/c1-23(2)13-7-12-22-21(26)11-15-25-18-16-24(17-19-25)14-6-10-20-8-4-3-5-9-20/h3-6,8-10H,7,11-19H2,1-2H3,(H,22,26)/b10-6+
InChIKeyJBNXDUMGVSFDSO-UXBLZVDNSA-N
XLogP1.78
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 108994619
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
N-tert-butyl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030023
N-[(2-methoxyphenyl)methyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109021976
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 109023804
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
N-(4-methylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide chloride
CID 53312696
N-(3,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide;hydron;chloride
CID 5389665
3-[[N-methyl-C-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111218370
N-(2,3-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109030036
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8621596

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 109016909) is N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is CN(C)CCCNC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is JBNXDUMGVSFDSO-UXBLZVDNSA-N. The full InChI is InChI=1S/C21H34N4O/c1-23(2)13-7-12-22-21(26)11-15-25-18-16-24(17-19-25)14-6-10-20-8-4-3-5-9-20/h3-6,8-10H,7,11-19H2,1-2H3,(H,22,26)/b10-6+.
What are the key properties of N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 358.53 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 109016909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).