[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone

C24H25N3O2 — CID 23903349

IUPAC[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
SMILESCc1ccc(CN2CCN(C(=O)c3cccnc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O2/c1-19-9-11-20(12-10-19)18-26-14-16-27(17-15-26)24(28)22-8-5-13-25-23(22)29-21-6-3-2-4-7-21/h2-13H,14-18H2,1H3
InChIKeyXPICSLCTBAEUHI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.14
Rot. Bonds5

About [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone

[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone (PubChem CID 23903349) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
PubChem CID23903349
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
SMILESCc1ccc(CN2CCN(C(=O)c3cccnc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C24H25N3O2/c1-19-9-11-20(12-10-19)18-26-14-16-27(17-15-26)24(28)22-8-5-13-25-23(22)29-21-6-3-2-4-7-21/h2-13H,14-18H2,1H3
InChIKeyXPICSLCTBAEUHI-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23994165
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
ethyl 1-(2-phenoxypyridine-3-carbonyl)piperidine-4-carboxylate
CID 2813431
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenoxypyridine-3-carboxamide
CID 55745402
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
2-(4-methylphenoxy)pyridine-3-carbonyl chloride
CID 2774899
1-methyl-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxylic acid
CID 19498665
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The IUPAC name of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone (CID 23903349) is [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone.
What is the SMILES notation for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The canonical SMILES for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone is Cc1ccc(CN2CCN(C(=O)c3cccnc3Oc3ccccc3)CC2)cc1.
What is the InChIKey of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
The InChIKey is XPICSLCTBAEUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-19-9-11-20(12-10-19)18-26-14-16-27(17-15-26)24(28)22-8-5-13-25-23(22)29-21-6-3-2-4-7-21/h2-13H,14-18H2,1H3.
What are the key properties of [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone?
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone has a molecular weight of 387.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone is sourced from PubChem (CID 23903349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).