N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide

C18H26N2O2 — CID 49053879

IUPACN-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCCc1cccc(N2CCC(NC(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-2-14-5-3-6-16(13-14)20-10-8-15(9-11-20)19-18(21)17-7-4-12-22-17/h3,5-6,13,15,17H,2,4,7-12H2,1H3,(H,19,21)
InChIKeyDHBRPMCPBRGFHR-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.51
Rot. Bonds4

About N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide

N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide (PubChem CID 49053879) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide
PubChem CID49053879
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide
SMILESCCc1cccc(N2CCC(NC(=O)C3CCCO3)CC2)c1
InChIInChI=1S/C18H26N2O2/c1-2-14-5-3-6-16(13-14)20-10-8-15(9-11-20)19-18(21)17-7-4-12-22-17/h3,5-6,13,15,17H,2,4,7-12H2,1H3,(H,19,21)
InChIKeyDHBRPMCPBRGFHR-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide (CID 49053879) is N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide is CCc1cccc(N2CCC(NC(=O)C3CCCO3)CC2)c1.
What is the InChIKey of N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is DHBRPMCPBRGFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-2-14-5-3-6-16(13-14)20-10-8-15(9-11-20)19-18(21)17-7-4-12-22-17/h3,5-6,13,15,17H,2,4,7-12H2,1H3,(H,19,21).
What are the key properties of N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide?
N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylphenyl)piperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 49053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).