ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide

C18H30N2O3 — CID 143792062

IUPACethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide
SMILESCC.O=CNCCOCCc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C16H24N2O3.C2H6/c19-13-18-10-12-20-11-7-14-1-3-15(4-2-14)21-16-5-8-17-9-6-16;1-2/h1-4,13,16-17H,5-12H2,(H,18,19);1-2H3
InChIKeyPUYLMDPUFDJBKV-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.15
Rot. Bonds9

About ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide

ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide (PubChem CID 143792062) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide.

Molecular Properties

Compound Nameethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide
PubChem CID143792062
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nameethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide
SMILESCC.O=CNCCOCCc1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C16H24N2O3.C2H6/c19-13-18-10-12-20-11-7-14-1-3-15(4-2-14)21-16-5-8-17-9-6-16;1-2/h1-4,13,16-17H,5-12H2,(H,18,19);1-2H3
InChIKeyPUYLMDPUFDJBKV-UHFFFAOYSA-N
XLogP2.15
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide?
The IUPAC name of ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide (CID 143792062) is ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide.
What is the SMILES notation for ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide?
The canonical SMILES for ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide is CC.O=CNCCOCCc1ccc(OC2CCNCC2)cc1.
What is the InChIKey of ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide?
The InChIKey is PUYLMDPUFDJBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.C2H6/c19-13-18-10-12-20-11-7-14-1-3-15(4-2-14)21-16-5-8-17-9-6-16;1-2/h1-4,13,16-17H,5-12H2,(H,18,19);1-2H3.
What are the key properties of ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide?
ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide has a molecular weight of 322.45 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(4-piperidin-4-yloxyphenyl)ethoxy]ethyl]formamide is sourced from PubChem (CID 143792062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).