N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide

C14H26N2O2 — CID 70917042

IUPACN-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15(14(17)11-18-2)12-7-9-16(10-8-12)13-5-3-4-6-13/h12-13H,3-11H2,1-2H3
InChIKeyLMYGVKBZTJMTBZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.50
Rot. Bonds4

About N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide

N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide (PubChem CID 70917042) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide
PubChem CID70917042
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide
SMILESCOCC(=O)N(C)C1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-15(14(17)11-18-2)12-7-9-16(10-8-12)13-5-3-4-6-13/h12-13H,3-11H2,1-2H3
InChIKeyLMYGVKBZTJMTBZ-UHFFFAOYSA-N
XLogP1.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide (CID 70917042) is N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide is COCC(=O)N(C)C1CCN(C2CCCC2)CC1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide?
The InChIKey is LMYGVKBZTJMTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(14(17)11-18-2)12-7-9-16(10-8-12)13-5-3-4-6-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide?
N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-2-methoxy-N-methylacetamide is sourced from PubChem (CID 70917042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).