1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H30N2O2 — CID 5122628

IUPAC1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C18H30N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-2,15-17H,3-14H2,(H,19,21)
InChIKeyZBOIXGYNLAYVOG-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.35
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 5122628) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID5122628
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C18H30N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-2,15-17H,3-14H2,(H,19,21)
InChIKeyZBOIXGYNLAYVOG-UHFFFAOYSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 5122628) is 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZBOIXGYNLAYVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-18(19-13-17-7-4-12-22-17)16-8-10-20(11-9-16)14-15-5-2-1-3-6-15/h1-2,15-17H,3-14H2,(H,19,21).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 5122628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).