2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide

C22H27N3O3 — CID 108924733

IUPAC2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCCc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H27N3O3/c1-2-18-6-3-4-8-20(18)28-16-21(26)24-14-17-9-12-25(13-10-17)22(27)19-7-5-11-23-15-19/h3-8,11,15,17H,2,9-10,12-14,16H2,1H3,(H,24,26)
InChIKeyXRUFWJXCSFIKSY-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.69
Rot. Bonds7

About 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide

2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108924733) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID108924733
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESCCc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C22H27N3O3/c1-2-18-6-3-4-8-20(18)28-16-21(26)24-14-17-9-12-25(13-10-17)22(27)19-7-5-11-23-15-19/h3-8,11,15,17H,2,9-10,12-14,16H2,1H3,(H,24,26)
InChIKeyXRUFWJXCSFIKSY-UHFFFAOYSA-N
XLogP2.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
2-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521344
[3-[4-[[[2-(2-ethylphenoxy)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927224
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
2-(4-phenylphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 90521437
3-phenoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924693
2-(2-ethylphenoxy)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 108932815
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
3-(4-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924798
2-benzylsulfanyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 71786523

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide (CID 108924733) is 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide is CCc1ccccc1OCC(=O)NCC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is XRUFWJXCSFIKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-18-6-3-4-8-20(18)28-16-21(26)24-14-17-9-12-25(13-10-17)22(27)19-7-5-11-23-15-19/h3-8,11,15,17H,2,9-10,12-14,16H2,1H3,(H,24,26).
What are the key properties of 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108924733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).