2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

C20H29N3OS — CID 86928063

IUPAC2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29N3OS/c1-2-15-25-19-10-6-5-9-18(19)21-20(24)16-22-11-13-23(14-12-22)17-7-3-4-8-17/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,24)
InChIKeyXVQXPUORLFLKEV-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.46
Rot. Bonds7

About 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 86928063) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID86928063
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29N3OS/c1-2-15-25-19-10-6-5-9-18(19)21-20(24)16-22-11-13-23(14-12-22)17-7-3-4-8-17/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,24)
InChIKeyXVQXPUORLFLKEV-UHFFFAOYSA-N
XLogP3.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 42939544
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
CID 18088532
2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 18125341
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 111543814
N-(5-chloro-2-pyridinyl)-1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 55816126
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 39965678
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 24522799
(3S)-3-methyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-1-carboxamide
CID 51945551
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
3-oxo-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 54867229
4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 78874664

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 86928063) is 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is XVQXPUORLFLKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-2-15-25-19-10-6-5-9-18(19)21-20(24)16-22-11-13-23(14-12-22)17-7-3-4-8-17/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,21,24).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 359.54 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 86928063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).