N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide

C26H29N5O4 — CID 75264624

IUPACN'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1ccc(N2CCN(C(=O)CON=C(N)c3cccc(OCc4cccnc4)c3)CC2)cc1
InChIInChI=1S/C26H29N5O4/c1-33-23-9-7-22(8-10-23)30-12-14-31(15-13-30)25(32)19-35-29-26(27)21-5-2-6-24(16-21)34-18-20-4-3-11-28-17-20/h2-11,16-17H,12-15,18-19H2,1H3,(H2,27,29)
InChIKeyXVYGJMGBNARRRV-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.65
Rot. Bonds9

About N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide

N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide (PubChem CID 75264624) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
PubChem CID75264624
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
SMILESCOc1ccc(N2CCN(C(=O)CON=C(N)c3cccc(OCc4cccnc4)c3)CC2)cc1
InChIInChI=1S/C26H29N5O4/c1-33-23-9-7-22(8-10-23)30-12-14-31(15-13-30)25(32)19-35-29-26(27)21-5-2-6-24(16-21)34-18-20-4-3-11-28-17-20/h2-11,16-17H,12-15,18-19H2,1H3,(H2,27,29)
InChIKeyXVYGJMGBNARRRV-UHFFFAOYSA-N
XLogP2.65
TPSA102.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 60609695
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] pyridine-3-carboxylate
CID 9045580
(E)-1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-en-1-one
CID 55917404
N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 25354438
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-2-pyridin-3-ylacetamide
CID 113097945
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
N'-[(2-chloro-6-fluorophenyl)methoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide
CID 75264625
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide (CID 75264624) is N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide is COc1ccc(N2CCN(C(=O)CON=C(N)c3cccc(OCc4cccnc4)c3)CC2)cc1.
What is the InChIKey of N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is XVYGJMGBNARRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-33-23-9-7-22(8-10-23)30-12-14-31(15-13-30)25(32)19-35-29-26(27)21-5-2-6-24(16-21)34-18-20-4-3-11-28-17-20/h2-11,16-17H,12-15,18-19H2,1H3,(H2,27,29).
What are the key properties of N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide?
N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 475.55 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-3-(pyridin-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 75264624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).