(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone

C24H26N4O2 — CID 29264109

IUPAC(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccccc1Nc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O2/c1-30-22-12-6-5-11-21(22)26-23-20(10-7-13-25-23)24(29)28-16-14-27(15-17-28)18-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3,(H,25,26)
InChIKeyFPQJJGHDQZSMIK-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.79
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone

(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone (PubChem CID 29264109) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
PubChem CID29264109
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccccc1Nc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H26N4O2/c1-30-22-12-6-5-11-21(22)26-23-20(10-7-13-25-23)24(29)28-16-14-27(15-17-28)18-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3,(H,25,26)
InChIKeyFPQJJGHDQZSMIK-UHFFFAOYSA-N
XLogP3.79
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 31111720
(4-benzylpiperazin-1-yl)-[1-(2-methoxyanilino)isoquinolin-4-yl]methanone
CID 122174591
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 38209532
[2-(2-ethoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1441003
2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55971022
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-2-methylphenyl)methanone
CID 136553249
(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39457794
[3-(1-aminoethyl)piperidin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119594620
(2,3-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483246
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone (CID 29264109) is (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone is COc1ccccc1Nc1ncccc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
The InChIKey is FPQJJGHDQZSMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-22-12-6-5-11-21(22)26-23-20(10-7-13-25-23)24(29)28-16-14-27(15-17-28)18-19-8-3-2-4-9-19/h2-13H,14-18H2,1H3,(H,25,26).
What are the key properties of (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone?
(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone has a molecular weight of 402.50 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 29264109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).