1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide

C21H29N3O2 — CID 108970257

IUPAC1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C21H29N3O2/c1-2-12-22-19(25)21(10-11-21)20(26)24-16-14-23(15-17-24)13-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3,(H,22,25)/b9-6+
InChIKeyYCTDEZDKUKNMDM-RMKNXTFCSA-N
MW355.48 g/mol
LogP2.15
Rot. Bonds7

About 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide

1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide (PubChem CID 108970257) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
PubChem CID108970257
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
SMILESCCCNC(=O)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1
InChIInChI=1S/C21H29N3O2/c1-2-12-22-19(25)21(10-11-21)20(26)24-16-14-23(15-17-24)13-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3,(H,22,25)/b9-6+
InChIKeyYCTDEZDKUKNMDM-RMKNXTFCSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974600
4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclohexane-1-carboxamide
CID 109144322
3-[[N-methyl-C-[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbonimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111218370
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
4-[(E)-4-phenylbut-3-enyl]-N-propylpiperazine-1-carboxamide
CID 110747126
(2-methylpyrrolidin-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 156608349
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8621596
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
(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 166264446
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]undecan-1-one
CID 6140077
N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]propane-1-sulfonamide
CID 112994586

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide (CID 108970257) is 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide is CCCNC(=O)C1(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
The InChIKey is YCTDEZDKUKNMDM-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-2-12-22-19(25)21(10-11-21)20(26)24-16-14-23(15-17-24)13-6-9-18-7-4-3-5-8-18/h3-9H,2,10-17H2,1H3,(H,22,25)/b9-6+.
What are the key properties of 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide?
1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 108970257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).