N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide

C18H23N3O3 — CID 108557028

IUPACN-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)NC1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C18H23N3O3/c1-2-14-5-3-4-6-16(14)24-13-17(22)20-15-8-11-21(12-9-15)18(23)7-10-19/h3-6,15H,2,7-9,11-13H2,1H3,(H,20,22)
InChIKeyDPTIUOABEIQPEH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.65
Rot. Bonds6

About N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide

N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide (PubChem CID 108557028) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
PubChem CID108557028
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
SMILESCCc1ccccc1OCC(=O)NC1CCN(C(=O)CC#N)CC1
InChIInChI=1S/C18H23N3O3/c1-2-14-5-3-4-6-16(14)24-13-17(22)20-15-8-11-21(12-9-15)18(23)7-10-19/h3-6,15H,2,7-9,11-13H2,1H3,(H,20,22)
InChIKeyDPTIUOABEIQPEH-UHFFFAOYSA-N
XLogP1.65
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylphenoxy)-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108557069
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-3-methoxypropanamide
CID 108556239
3-[4-[2-(2-ethylphenoxy)acetyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543385
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552086
3-cyclohexyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108555743
2-ethyl-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]butanamide
CID 108555635
2-(2-ethylphenoxy)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108557029
2-(2-ethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108557096
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide
CID 108557120
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
The IUPAC name of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide (CID 108557028) is N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide.
What is the SMILES notation for N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
The canonical SMILES for N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide is CCc1ccccc1OCC(=O)NC1CCN(C(=O)CC#N)CC1.
What is the InChIKey of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
The InChIKey is DPTIUOABEIQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-14-5-3-4-6-16(14)24-13-17(22)20-15-8-11-21(12-9-15)18(23)7-10-19/h3-6,15H,2,7-9,11-13H2,1H3,(H,20,22).
What are the key properties of N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide?
N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoacetyl)piperidin-4-yl]-2-(2-ethylphenoxy)acetamide is sourced from PubChem (CID 108557028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).