N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide

C14H26N2O2 — CID 141180311

IUPACN-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide
SMILESCOCCCCN(C(=O)C1CC1)C1CCNCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-3-2-10-16(14(17)12-4-5-12)13-6-8-15-9-7-13/h12-13,15H,2-11H2,1H3
InChIKeyHYRDGLXEJKVOQB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.40
Rot. Bonds7

About N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide

N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide (PubChem CID 141180311) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide
PubChem CID141180311
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide
SMILESCOCCCCN(C(=O)C1CC1)C1CCNCC1
InChIInChI=1S/C14H26N2O2/c1-18-11-3-2-10-16(14(17)12-4-5-12)13-6-8-15-9-7-13/h12-13,15H,2-11H2,1H3
InChIKeyHYRDGLXEJKVOQB-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.40
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-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide?
The IUPAC name of N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide (CID 141180311) is N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide?
The canonical SMILES for N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide is COCCCCN(C(=O)C1CC1)C1CCNCC1.
What is the InChIKey of N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide?
The InChIKey is HYRDGLXEJKVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-11-3-2-10-16(14(17)12-4-5-12)13-6-8-15-9-7-13/h12-13,15H,2-11H2,1H3.
What are the key properties of N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide?
N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-piperidin-4-ylcyclopropanecarboxamide is sourced from PubChem (CID 141180311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).