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

C20H26N4O2 — CID 14330383

IUPAC2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide
SMILESCOCC(=O)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-16-19(25)24(20-21-11-5-12-22-20)18-9-14-23(15-10-18)13-8-17-6-3-2-4-7-17/h2-7,11-12,18H,8-10,13-16H2,1H3
InChIKeyHMWHTDGHXSPIKD-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.16
Rot. Bonds7

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

2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 14330383) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide
PubChem CID14330383
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide
SMILESCOCC(=O)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H26N4O2/c1-26-16-19(25)24(20-21-11-5-12-22-20)18-9-14-23(15-10-18)13-8-17-6-3-2-4-7-17/h2-7,11-12,18H,8-10,13-16H2,1H3
InChIKeyHMWHTDGHXSPIKD-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide (CID 14330383) is 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide is COCC(=O)N(c1ncccn1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is HMWHTDGHXSPIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-26-16-19(25)24(20-21-11-5-12-22-20)18-9-14-23(15-10-18)13-8-17-6-3-2-4-7-17/h2-7,11-12,18H,8-10,13-16H2,1H3.
What are the key properties of 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide?
2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 354.45 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 14330383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).