N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide

C13H24N2O2 — CID 71936360

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide
SMILESCCC(OC)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-3-12(17-2)13(16)14-10-6-8-15(9-7-10)11-4-5-11/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyBELCXOAPSHYPIZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.15
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide

N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide (PubChem CID 71936360) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide
PubChem CID71936360
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide
SMILESCCC(OC)C(=O)NC1CCN(C2CC2)CC1
InChIInChI=1S/C13H24N2O2/c1-3-12(17-2)13(16)14-10-6-8-15(9-7-10)11-4-5-11/h10-12H,3-9H2,1-2H3,(H,14,16)
InChIKeyBELCXOAPSHYPIZ-UHFFFAOYSA-N
XLogP1.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide (CID 71936360) is N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide is CCC(OC)C(=O)NC1CCN(C2CC2)CC1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide?
The InChIKey is BELCXOAPSHYPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-12(17-2)13(16)14-10-6-8-15(9-7-10)11-4-5-11/h10-12H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide?
N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide has a molecular weight of 240.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide is sourced from PubChem (CID 71936360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).