6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide

C21H26N2O2 — CID 23723207

IUPAC6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-3-14-22(15-4-2)21(25)19-12-13-20(24)23(17-19)16-8-11-18-9-6-5-7-10-18/h1,4-7,9-10,19H,2,8,11-17H2
InChIKeyRGHPUUIEYOUBTI-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.51
Rot. Bonds8

About 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide

6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (PubChem CID 23723207) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
PubChem CID23723207
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide
SMILESC#CCN(CC=C)C(=O)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C21H26N2O2/c1-3-14-22(15-4-2)21(25)19-12-13-20(24)23(17-19)16-8-11-18-9-6-5-7-10-18/h1,4-7,9-10,19H,2,8,11-17H2
InChIKeyRGHPUUIEYOUBTI-UHFFFAOYSA-N
XLogP2.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide (CID 23723207) is 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is C#CCN(CC=C)C(=O)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
The InChIKey is RGHPUUIEYOUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-14-22(15-4-2)21(25)19-12-13-20(24)23(17-19)16-8-11-18-9-6-5-7-10-18/h1,4-7,9-10,19H,2,8,11-17H2.
What are the key properties of 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide?
6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(3-phenylpropyl)-N-prop-2-enyl-N-prop-2-ynylpiperidine-3-carboxamide is sourced from PubChem (CID 23723207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).