2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile

C25H23ClN4O3 — CID 55456470

IUPAC2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C25H23ClN4O3/c1-32-23-15-18(8-9-22(23)33-17-20-5-2-3-7-21(20)26)25(31)30-13-11-29(12-14-30)24-19(16-27)6-4-10-28-24/h2-10,15H,11-14,17H2,1H3
InChIKeyVZNDWQQFBJCAOG-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.16
Rot. Bonds6

About 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 55456470) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID55456470
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OCc1ccccc1Cl
InChIInChI=1S/C25H23ClN4O3/c1-32-23-15-18(8-9-22(23)33-17-20-5-2-3-7-21(20)26)25(31)30-13-11-29(12-14-30)24-19(16-27)6-4-10-28-24/h2-10,15H,11-14,17H2,1H3
InChIKeyVZNDWQQFBJCAOG-UHFFFAOYSA-N
XLogP4.16
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile 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

[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55821680
2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 55456082
2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 2119312
2-[[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]methyl]benzonitrile
CID 4264346
2-[4-(3-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 58989779
N-[1-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512397
(2-oxo-2-pyrrolidin-1-ylethyl) 4-[(2-chlorophenyl)methoxy]-3-methoxybenzoate
CID 2600506
2-[4-[3-methyl-4-(tetrazol-1-yl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 55616156
4-[(2-chlorophenyl)methoxy]-N'-[2-(4-cyanophenoxy)acetyl]-3-methoxybenzohydrazide
CID 24635798
2-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]benzoic acid
CID 2812107
4-[(2-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 7780134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 55456470) is 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile is COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is VZNDWQQFBJCAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-32-23-15-18(8-9-22(23)33-17-20-5-2-3-7-21(20)26)25(31)30-13-11-29(12-14-30)24-19(16-27)6-4-10-28-24/h2-10,15H,11-14,17H2,1H3.
What are the key properties of 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 462.94 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[(2-chlorophenyl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55456470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).