N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide

C27H30N4O5 — CID 55493114

IUPACN-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1OC
InChIInChI=1S/C27H30N4O5/c1-34-23-8-4-3-7-22(23)29-26(32)19-36-24-10-9-21(16-25(24)35-2)27(33)31-14-12-30(13-15-31)18-20-6-5-11-28-17-20/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,32)
InChIKeyZHMUWDGNLKTFJE-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.07
Rot. Bonds9

About N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide

N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 55493114) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID55493114
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1OC
InChIInChI=1S/C27H30N4O5/c1-34-23-8-4-3-7-22(23)29-26(32)19-36-24-10-9-21(16-25(24)35-2)27(33)31-14-12-30(13-15-31)18-20-6-5-11-28-17-20/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,32)
InChIKeyZHMUWDGNLKTFJE-UHFFFAOYSA-N
XLogP3.07
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(azetidine-1-carbonyl)-2-methoxyphenoxy]-N-(2-methoxyphenyl)acetamide
CID 17439322
2-(2-methoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 110709120
2-[2-methoxy-4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 46649792
(2,6-dimethoxyphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 1112890
methyl 4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]benzoate
CID 19572760
N-(5-chloro-2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108510
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
2-[4-(4-benzylpiperazine-1-carbothioyl)-2-methoxyphenoxy]-N-(3,5-dimethylphenyl)acetamide
CID 126263965
(3,4-dimethoxyphenyl)-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1074824
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide
CID 55764627
(3,4-dimethoxyphenyl)-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1072244

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide (CID 55493114) is N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(C(=O)N2CCN(Cc3cccnc3)CC2)cc1OC.
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is ZHMUWDGNLKTFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-34-23-8-4-3-7-22(23)29-26(32)19-36-24-10-9-21(16-25(24)35-2)27(33)31-14-12-30(13-15-31)18-20-6-5-11-28-17-20/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,29,32).
What are the key properties of N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 490.56 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-methoxy-4-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 55493114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).