2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide

C18H20N4O3 — CID 120729201

IUPAC2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H20N4O3/c19-17(23)12-25-15-5-3-13(4-6-15)18(24)22-9-8-21-11-16(22)14-2-1-7-20-10-14/h1-7,10,16,21H,8-9,11-12H2,(H2,19,23)
InChIKeyLRWIVKFBMUREOC-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.73
Rot. Bonds5

About 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide

2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide (PubChem CID 120729201) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
PubChem CID120729201
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1
InChIInChI=1S/C18H20N4O3/c19-17(23)12-25-15-5-3-13(4-6-15)18(24)22-9-8-21-11-16(22)14-2-1-7-20-10-14/h1-7,10,16,21H,8-9,11-12H2,(H2,19,23)
InChIKeyLRWIVKFBMUREOC-UHFFFAOYSA-N
XLogP0.73
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729059
(4-prop-2-enoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729058
2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120730640
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
[4-[2-(diethylamino)ethoxy]phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730306
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
CID 120731351
2-(4-chlorophenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120731259
2-(4-ethoxyphenoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732198
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
N-[[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 120731142
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
[4-(1,3-dithian-2-yl)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729661

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide (CID 120729201) is 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide is NC(=O)COc1ccc(C(=O)N2CCNCC2c2cccnc2)cc1.
What is the InChIKey of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The InChIKey is LRWIVKFBMUREOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-17(23)12-25-15-5-3-13(4-6-15)18(24)22-9-8-21-11-16(22)14-2-1-7-20-10-14/h1-7,10,16,21H,8-9,11-12H2,(H2,19,23).
What are the key properties of 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide has a molecular weight of 340.38 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 120729201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).