2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide

C21H25N3O3 — CID 126953365

IUPAC2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(C(=O)C4CC=CC4)CC3)cccc21
InChIInChI=1S/C21H25N3O3/c22-20(25)14-24-13-10-17-18(24)6-3-7-19(17)27-16-8-11-23(12-9-16)21(26)15-4-1-2-5-15/h1-3,6-7,10,13,15-16H,4-5,8-9,11-12,14H2,(H2,22,25)
InChIKeyPSGPWRFPPCQCMA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide

2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide (PubChem CID 126953365) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
PubChem CID126953365
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
SMILESNC(=O)Cn1ccc2c(OC3CCN(C(=O)C4CC=CC4)CC3)cccc21
InChIInChI=1S/C21H25N3O3/c22-20(25)14-24-13-10-17-18(24)6-3-7-19(17)27-16-8-11-23(12-9-16)21(26)15-4-1-2-5-15/h1-3,6-7,10,13,15-16H,4-5,8-9,11-12,14H2,(H2,22,25)
InChIKeyPSGPWRFPPCQCMA-UHFFFAOYSA-N
XLogP2.46
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.46
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-[1-(2-hydroxycyclohexyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953583
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953392
2-[4-[1-(1-methyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953538
2-[4-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953341
2-[4-[1-(2-oxopiperidin-3-yl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953535
2-[4-[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953334
2-[4-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953420
2-[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953379
2-[4-[1-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953471
2-[4-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953524
2-[4-[1-[(1-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953482
2-[4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)oxyindol-1-yl]acetamide
CID 126953445

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The IUPAC name of 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide (CID 126953365) is 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The canonical SMILES for 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide is NC(=O)Cn1ccc2c(OC3CCN(C(=O)C4CC=CC4)CC3)cccc21.
What is the InChIKey of 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
The InChIKey is PSGPWRFPPCQCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-20(25)14-24-13-10-17-18(24)6-3-7-19(17)27-16-8-11-23(12-9-16)21(26)15-4-1-2-5-15/h1-3,6-7,10,13,15-16H,4-5,8-9,11-12,14H2,(H2,22,25).
What are the key properties of 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide?
2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]oxyindol-1-yl]acetamide is sourced from PubChem (CID 126953365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).