(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone

C24H25N3O2 — CID 56912164

IUPAC(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C24H25N3O2/c1-29-23-8-3-2-6-21(23)24(28)27-16-14-26(15-17-27)18-19-9-11-20(12-10-19)22-7-4-5-13-25-22/h2-13H,14-18H2,1H3
InChIKeyNZKUXRGUFSUULV-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.72
Rot. Bonds5

About (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 56912164) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID56912164
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C24H25N3O2/c1-29-23-8-3-2-6-21(23)24(28)27-16-14-26(15-17-27)18-19-9-11-20(12-10-19)22-7-4-5-13-25-22/h2-13H,14-18H2,1H3
InChIKeyNZKUXRGUFSUULV-UHFFFAOYSA-N
XLogP3.72
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-[4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]piperazin-1-yl]methanone
CID 56894068
(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 29264109
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
[4-(1-benzofuran-5-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 56894959
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 19325526
4-[[4-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 31111720
(2,3-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483246
(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122464
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 9238489
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
(2-chlorophenyl)-[4-[(4-methoxy-3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 110399284
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-2-methylphenyl)methanone
CID 136553249

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone (CID 56912164) is (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(Cc2ccc(-c3ccccn3)cc2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is NZKUXRGUFSUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-23-8-3-2-6-21(23)24(28)27-16-14-26(15-17-27)18-19-9-11-20(12-10-19)22-7-4-5-13-25-22/h2-13H,14-18H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 387.48 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56912164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).