[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C16H24N2O2 — CID 164638649

IUPAC[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC=CC1)N1CCC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C16H24N2O2/c19-15(13-6-1-2-7-13)18-11-5-8-14(12-18)16(20)17-9-3-4-10-17/h1-2,13-14H,3-12H2/t14-/m0/s1
InChIKeyKOAXWVZMZSFCAT-AWEZNQCLSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds2

About [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 164638649) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID164638649
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC=CC1)N1CCC[C@H](C(=O)N2CCCC2)C1
InChIInChI=1S/C16H24N2O2/c19-15(13-6-1-2-7-13)18-11-5-8-14(12-18)16(20)17-9-3-4-10-17/h1-2,13-14H,3-12H2/t14-/m0/s1
InChIKeyKOAXWVZMZSFCAT-AWEZNQCLSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
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 [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 164638649) is [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CC=CC1)N1CCC[C@H](C(=O)N2CCCC2)C1.
What is the InChIKey of [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KOAXWVZMZSFCAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(13-6-1-2-7-13)18-11-5-8-14(12-18)16(20)17-9-3-4-10-17/h1-2,13-14H,3-12H2/t14-/m0/s1.
What are the key properties of [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(cyclopent-3-ene-1-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 164638649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).