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

C22H30N4O2 — CID 109175248

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccnc(NCCC(C)C)c3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17(2)8-10-23-21-16-18(9-11-24-21)22(27)26-14-12-25(13-15-26)19-4-6-20(28-3)7-5-19/h4-7,9,11,16-17H,8,10,12-15H2,1-3H3,(H,23,24)
InChIKeyHHSVPWVHZNZKFD-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.51
Rot. Bonds7

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

[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone (PubChem CID 109175248) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
PubChem CID109175248
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccnc(NCCC(C)C)c3)CC2)cc1
InChIInChI=1S/C22H30N4O2/c1-17(2)8-10-23-21-16-18(9-11-24-21)22(27)26-14-12-25(13-15-26)19-4-6-20(28-3)7-5-19/h4-7,9,11,16-17H,8,10,12-15H2,1-3H3,(H,23,24)
InChIKeyHHSVPWVHZNZKFD-UHFFFAOYSA-N
XLogP3.51
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
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-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
1-[4-[2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169045
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109174427
N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109340279
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442
(4-methoxyphenyl)-[4-[2-(methylamino)pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 70751840
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
2-[2-(4-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109173026
[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109153778

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone (CID 109175248) is [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone is COc1ccc(N2CCN(C(=O)c3ccnc(NCCC(C)C)c3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone?
The InChIKey is HHSVPWVHZNZKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-17(2)8-10-23-21-16-18(9-11-24-21)22(27)26-14-12-25(13-15-26)19-4-6-20(28-3)7-5-19/h4-7,9,11,16-17H,8,10,12-15H2,1-3H3,(H,23,24).
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone has a molecular weight of 382.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 109175248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).