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

C21H27N3O2 — CID 14330359

IUPAC2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide
SMILESCOCC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-26-17-21(25)24(20-9-5-6-13-22-20)19-11-15-23(16-12-19)14-10-18-7-3-2-4-8-18/h2-9,13,19H,10-12,14-17H2,1H3
InChIKeyMSMFWZBQIXVMFV-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.77
Rot. Bonds7

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

2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide (PubChem CID 14330359) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide
PubChem CID14330359
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide
SMILESCOCC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27N3O2/c1-26-17-21(25)24(20-9-5-6-13-22-20)19-11-15-23(16-12-19)14-10-18-7-3-2-4-8-18/h2-9,13,19H,10-12,14-17H2,1H3
InChIKeyMSMFWZBQIXVMFV-UHFFFAOYSA-N
XLogP2.77
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.77
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-pyridin-2-ylacetamide?
The IUPAC name of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide (CID 14330359) is 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide is COCC(=O)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide?
The InChIKey is MSMFWZBQIXVMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-17-21(25)24(20-9-5-6-13-22-20)19-11-15-23(16-12-19)14-10-18-7-3-2-4-8-18/h2-9,13,19H,10-12,14-17H2,1H3.
What are the key properties of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide?
2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylacetamide has a molecular weight of 353.47 g/mol, XLogP of 2.77, 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-pyridin-2-ylacetamide is sourced from PubChem (CID 14330359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).