N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen

C18H36N2O2 — CID 156819591

IUPACN-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCCOCCCCN1CCC(NC(=O)C2(C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C18H34N2O2.H2/c1-4-22-14-6-5-11-20-12-7-16(8-13-20)19-17(21)18(9-10-18)15(2)3;/h15-16H,4-14H2,1-3H3,(H,19,21);1H
InChIKeyWCOLKWIXWWZYHW-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.07
Rot. Bonds9

About N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen

N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 156819591) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
PubChem CID156819591
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC NameN-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen
SMILESCCOCCCCN1CCC(NC(=O)C2(C(C)C)CC2)CC1.[H][H]
InChIInChI=1S/C18H34N2O2.H2/c1-4-22-14-6-5-11-20-12-7-16(8-13-20)19-17(21)18(9-10-18)15(2)3;/h15-16H,4-14H2,1-3H3,(H,19,21);1H
InChIKeyWCOLKWIXWWZYHW-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen (CID 156819591) is N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen is CCOCCCCN1CCC(NC(=O)C2(C(C)C)CC2)CC1.[H][H].
What is the InChIKey of N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is WCOLKWIXWWZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2.H2/c1-4-22-14-6-5-11-20-12-7-16(8-13-20)19-17(21)18(9-10-18)15(2)3;/h15-16H,4-14H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen?
N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 312.50 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybutyl)piperidin-4-yl]-1-propan-2-ylcyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 156819591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).