[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C22H29N5O2 — CID 109186297

IUPAC[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)N3CCN(C)CC3)nc2)CC1
InChIInChI=1S/C22H29N5O2/c1-24-9-11-27(12-10-24)22(28)19-8-7-18(17-23-19)25-13-15-26(16-14-25)20-5-3-4-6-21(20)29-2/h3-8,17H,9-16H2,1-2H3
InChIKeyRWBDWZIKIQQMCV-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.80
Rot. Bonds4

About [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109186297) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109186297
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1N1CCN(c2ccc(C(=O)N3CCN(C)CC3)nc2)CC1
InChIInChI=1S/C22H29N5O2/c1-24-9-11-27(12-10-24)22(28)19-8-7-18(17-23-19)25-13-15-26(16-14-25)20-5-3-4-6-21(20)29-2/h3-8,17H,9-16H2,1-2H3
InChIKeyRWBDWZIKIQQMCV-UHFFFAOYSA-N
XLogP1.80
TPSA52.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109194295
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 109134181
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
[5-(2-methoxyanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193419
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46547494
[4-(2-methoxyphenyl)piperazin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 30402904

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109186297) is [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1N1CCN(c2ccc(C(=O)N3CCN(C)CC3)nc2)CC1.
What is the InChIKey of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RWBDWZIKIQQMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-24-9-11-27(12-10-24)22(28)19-8-7-18(17-23-19)25-13-15-26(16-14-25)20-5-3-4-6-21(20)29-2/h3-8,17H,9-16H2,1-2H3.
What are the key properties of [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 395.51 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109186297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).