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

C19H22N4O4 — CID 120730640

IUPAC2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCNCC2c2cccnc2)ccc1OCC(N)=O
InChIInChI=1S/C19H22N4O4/c1-26-17-9-13(4-5-16(17)27-12-18(20)24)19(25)23-8-7-22-11-15(23)14-3-2-6-21-10-14/h2-6,9-10,15,22H,7-8,11-12H2,1H3,(H2,20,24)
InChIKeyCNEOETWIBXSGMA-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.74
Rot. Bonds6

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

2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide (PubChem CID 120730640) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
PubChem CID120730640
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
SMILESCOc1cc(C(=O)N2CCNCC2c2cccnc2)ccc1OCC(N)=O
InChIInChI=1S/C19H22N4O4/c1-26-17-9-13(4-5-16(17)27-12-18(20)24)19(25)23-8-7-22-11-15(23)14-3-2-6-21-10-14/h2-6,9-10,15,22H,7-8,11-12H2,1H3,(H2,20,24)
InChIKeyCNEOETWIBXSGMA-UHFFFAOYSA-N
XLogP0.74
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 120729201
(4-cyclopentyloxy-3-methoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729126
(3,5-dimethoxy-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731703
(3,4-dimethoxy-5-prop-2-enylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729626
(3-bromo-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120730620
(3-fluoro-4-methylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731159
[4-(3-methoxypropoxy)phenyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120730857
(3-propoxyphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120731539
2-(3-fluoro-4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731152
2-[4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]sulfonylacetamide;hydrochloride
CID 120731351
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
(3-bromo-4-fluorophenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729585

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The IUPAC name of 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide (CID 120730640) is 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide is COc1cc(C(=O)N2CCNCC2c2cccnc2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
The InChIKey is CNEOETWIBXSGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-26-17-9-13(4-5-16(17)27-12-18(20)24)19(25)23-8-7-22-11-15(23)14-3-2-6-21-10-14/h2-6,9-10,15,22H,7-8,11-12H2,1H3,(H2,20,24).
What are the key properties of 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide?
2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide has a molecular weight of 370.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-(2-pyridin-3-ylpiperazine-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 120730640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).