1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide

C21H27N3O2 — CID 3242798

IUPAC1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C21H27N3O2/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h4-5,7,10-11,17H,1-3,6,8-9,12-15H2,(H,22,25)
InChIKeyOCCIFDIVOTVYEU-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.05
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 3242798) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID3242798
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C21H27N3O2/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h4-5,7,10-11,17H,1-3,6,8-9,12-15H2,(H,22,25)
InChIKeyOCCIFDIVOTVYEU-UHFFFAOYSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide (CID 3242798) is 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCC1=CCCCC1)C1CCCN(c2nc3ccccc3o2)C1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is OCCIFDIVOTVYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(22-13-12-16-7-2-1-3-8-16)17-9-6-14-24(15-17)21-23-18-10-4-5-11-19(18)26-21/h4-5,7,10-11,17H,1-3,6,8-9,12-15H2,(H,22,25).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[2-(cyclohexen-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 3242798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).