[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

C23H30N4O2 — CID 109218095

IUPAC[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(N2CCN(c3ccnc(C(=O)N4CCCC(C)C4)c3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-18-4-3-11-27(17-18)23(28)22-16-20(9-10-24-22)26-14-12-25(13-15-26)19-5-7-21(29-2)8-6-19/h5-10,16,18H,3-4,11-15,17H2,1-2H3
InChIKeyPYTDUFQKUKHMND-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.29
Rot. Bonds4

About [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone

[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109218095) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109218095
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(N2CCN(c3ccnc(C(=O)N4CCCC(C)C4)c3)CC2)cc1
InChIInChI=1S/C23H30N4O2/c1-18-4-3-11-27(17-18)23(28)22-16-20(9-10-24-22)26-14-12-25(13-15-26)19-5-7-21(29-2)8-6-19/h5-10,16,18H,3-4,11-15,17H2,1-2H3
InChIKeyPYTDUFQKUKHMND-UHFFFAOYSA-N
XLogP3.29
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878
[4-(4-benzylpiperazin-1-yl)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109215155
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109214584
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
4-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700608
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(3-methylpiperidin-1-yl)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109216212
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 56886009
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone (CID 109218095) is [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(N2CCN(c3ccnc(C(=O)N4CCCC(C)C4)c3)CC2)cc1.
What is the InChIKey of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PYTDUFQKUKHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-4-3-11-27(17-18)23(28)22-16-20(9-10-24-22)26-14-12-25(13-15-26)19-5-7-21(29-2)8-6-19/h5-10,16,18H,3-4,11-15,17H2,1-2H3.
What are the key properties of [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone?
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109218095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).