[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H28N2O — CID 44782287

IUPAC[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CC=CCC2)CC1)N1CCCC1
InChIInChI=1S/C17H28N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h1-2,15-16H,3-14H2
InChIKeyKBNCGVIFQOVQMP-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.68
Rot. Bonds3

About [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 44782287) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID44782287
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CC=CCC2)CC1)N1CCCC1
InChIInChI=1S/C17H28N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h1-2,15-16H,3-14H2
InChIKeyKBNCGVIFQOVQMP-UHFFFAOYSA-N
XLogP2.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.68
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-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 44782287) is [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(CC2CC=CCC2)CC1)N1CCCC1.
What is the InChIKey of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KBNCGVIFQOVQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h1-2,15-16H,3-14H2.
What are the key properties of [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 276.42 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 44782287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).