N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide

C21H26N2O2 — CID 54813456

IUPACN-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c24-21(17-23-13-5-2-6-14-23)22-19-10-7-11-20(16-19)25-15-12-18-8-3-1-4-9-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24)
InChIKeyXHRBNQFSJWFWBU-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.73
Rot. Bonds7

About N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide

N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 54813456) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
PubChem CID54813456
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C21H26N2O2/c24-21(17-23-13-5-2-6-14-23)22-19-10-7-11-20(16-19)25-15-12-18-8-3-1-4-9-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24)
InChIKeyXHRBNQFSJWFWBU-UHFFFAOYSA-N
XLogP3.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
2-(azepan-1-yl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54814466
2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide (CID 54813456) is N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cccc(OCCc2ccccc2)c1.
What is the InChIKey of N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is XHRBNQFSJWFWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(17-23-13-5-2-6-14-23)22-19-10-7-11-20(16-19)25-15-12-18-8-3-1-4-9-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,24).
What are the key properties of N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide?
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 338.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 54813456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).