(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

C18H30N2O2 — CID 100679957

IUPAC(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)[C@H]1CC=CCC1
InChIInChI=1S/C18H30N2O2/c21-18(16-4-2-1-3-5-16)19-14-15-6-10-20(11-7-15)17-8-12-22-13-9-17/h1-2,15-17H,3-14H2,(H,19,21)/t16-/m0/s1
InChIKeyOZMJYAQGLPWISP-INIZCTEOSA-N
MW306.45 g/mol
LogP2.35
Rot. Bonds4

About (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 100679957) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID100679957
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)[C@H]1CC=CCC1
InChIInChI=1S/C18H30N2O2/c21-18(16-4-2-1-3-5-16)19-14-15-6-10-20(11-7-15)17-8-12-22-13-9-17/h1-2,15-17H,3-14H2,(H,19,21)/t16-/m0/s1
InChIKeyOZMJYAQGLPWISP-INIZCTEOSA-N
XLogP2.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide (CID 100679957) is (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NCC1CCN(C2CCOCC2)CC1)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OZMJYAQGLPWISP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N2O2/c21-18(16-4-2-1-3-5-16)19-14-15-6-10-20(11-7-15)17-8-12-22-13-9-17/h1-2,15-17H,3-14H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 100679957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).