1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

C17H26N2O2 — CID 91921279

IUPAC1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(20)18-9-6-14(7-10-18)16-8-11-19(12-16)17(21)15-4-2-3-5-15/h2-3,14-16H,4-12H2,1H3
InChIKeyGQCINXNHOFNRNG-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.06
Rot. Bonds2

About 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 91921279) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
PubChem CID91921279
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(20)18-9-6-14(7-10-18)16-8-11-19(12-16)17(21)15-4-2-3-5-15/h2-3,14-16H,4-12H2,1H3
InChIKeyGQCINXNHOFNRNG-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (CID 91921279) is 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C2CCN(C(=O)C3CC=CC3)C2)CC1.
What is the InChIKey of 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is GQCINXNHOFNRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(20)18-9-6-14(7-10-18)16-8-11-19(12-16)17(21)15-4-2-3-5-15/h2-3,14-16H,4-12H2,1H3.
What are the key properties of 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclopent-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91921279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).