3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

C17H25ClN2O3 — CID 120890837

IUPAC3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCOc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C17H25ClN2O3/c1-22-13-17(7-9-19-10-8-17)12-20-16(21)6-11-23-15-4-2-14(18)3-5-15/h2-5,19H,6-13H2,1H3,(H,20,21)
InChIKeyXFZZZHBLVMFVKM-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.24
Rot. Bonds8

About 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide

3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (PubChem CID 120890837) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
PubChem CID120890837
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCOc2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C17H25ClN2O3/c1-22-13-17(7-9-19-10-8-17)12-20-16(21)6-11-23-15-4-2-14(18)3-5-15/h2-5,19H,6-13H2,1H3,(H,20,21)
InChIKeyXFZZZHBLVMFVKM-UHFFFAOYSA-N
XLogP2.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide (CID 120890837) is 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is COCC1(CNC(=O)CCOc2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is XFZZZHBLVMFVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-22-13-17(7-9-19-10-8-17)12-20-16(21)6-11-23-15-4-2-14(18)3-5-15/h2-5,19H,6-13H2,1H3,(H,20,21).
What are the key properties of 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide?
3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 340.85 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 120890837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).