2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide

C21H33N3O2 — CID 14330351

IUPAC2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide
SMILESCOCC(=O)N(C1CCN(CCc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C21H33N3O2/c1-26-18-21(25)24(23-13-6-3-7-14-23)20-11-16-22(17-12-20)15-10-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
InChIKeyYTALCDLEGRVNKP-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.57
Rot. Bonds7

About 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide

2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide (PubChem CID 14330351) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide
PubChem CID14330351
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide
SMILESCOCC(=O)N(C1CCN(CCc2ccccc2)CC1)N1CCCCC1
InChIInChI=1S/C21H33N3O2/c1-26-18-21(25)24(23-13-6-3-7-14-23)20-11-16-22(17-12-20)15-10-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3
InChIKeyYTALCDLEGRVNKP-UHFFFAOYSA-N
XLogP2.57
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide?
The IUPAC name of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide (CID 14330351) is 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide?
The canonical SMILES for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide is COCC(=O)N(C1CCN(CCc2ccccc2)CC1)N1CCCCC1.
What is the InChIKey of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide?
The InChIKey is YTALCDLEGRVNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-26-18-21(25)24(23-13-6-3-7-14-23)20-11-16-22(17-12-20)15-10-19-8-4-2-5-9-19/h2,4-5,8-9,20H,3,6-7,10-18H2,1H3.
What are the key properties of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide?
2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide has a molecular weight of 359.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-piperidin-1-ylacetamide is sourced from PubChem (CID 14330351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).