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

C21H29N3O2 — CID 108942180

IUPACN-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESO=C(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)NC1CCCC1
InChIInChI=1S/C21H29N3O2/c25-20(22-19-10-4-5-11-19)17-21(26)24-15-13-23(14-16-24)12-6-9-18-7-2-1-3-8-18/h1-3,6-9,19H,4-5,10-17H2,(H,22,25)/b9-6+
InChIKeyGJGMMINXJTZUFG-RMKNXTFCSA-N
MW355.48 g/mol
LogP2.29
Rot. Bonds6

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

N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (PubChem CID 108942180) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
PubChem CID108942180
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
SMILESO=C(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)NC1CCCC1
InChIInChI=1S/C21H29N3O2/c25-20(22-19-10-4-5-11-19)17-21(26)24-15-13-23(14-16-24)12-6-9-18-7-2-1-3-8-18/h1-3,6-9,19H,4-5,10-17H2,(H,22,25)/b9-6+
InChIKeyGJGMMINXJTZUFG-RMKNXTFCSA-N
XLogP2.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.29
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-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109132423
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
N-(4-hydroxycyclohexyl)-4-(3-phenylprop-2-enyl)piperazine-1-carboxamide
CID 91942292
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-oxo-N-(oxolan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108943657
N-(2-ethylphenyl)-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 108950759
N-cyclopropyl-4-[3-oxo-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]prop-1-enyl]benzamide
CID 76860309
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
N-cyclopropyl-4-[[ethylamino-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methylidene]amino]butanamide
CID 111218425
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide (CID 108942180) is N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is O=C(CC(=O)N1CCN(C/C=C/c2ccccc2)CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
The InChIKey is GJGMMINXJTZUFG-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20(22-19-10-4-5-11-19)17-21(26)24-15-13-23(14-16-24)12-6-9-18-7-2-1-3-8-18/h1-3,6-9,19H,4-5,10-17H2,(H,22,25)/b9-6+.
What are the key properties of N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide?
N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 108942180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).