[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone

C22H29N3O2 — CID 119071315

IUPAC[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone
SMILESCOCCCCN1CCN(C(=O)c2ccc(-c3cccc(C)n3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-18-6-5-7-21(23-18)19-8-10-20(11-9-19)22(26)25-15-13-24(14-16-25)12-3-4-17-27-2/h5-11H,3-4,12-17H2,1-2H3
InChIKeyRROHUGRWFMSRPF-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.24
Rot. Bonds7

About [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone

[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone (PubChem CID 119071315) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone
PubChem CID119071315
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone
SMILESCOCCCCN1CCN(C(=O)c2ccc(-c3cccc(C)n3)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-18-6-5-7-21(23-18)19-8-10-20(11-9-19)22(26)25-15-13-24(14-16-25)12-3-4-17-27-2/h5-11H,3-4,12-17H2,1-2H3
InChIKeyRROHUGRWFMSRPF-UHFFFAOYSA-N
XLogP3.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-[4-(3-methoxypropyl)piperazin-1-yl]methanone
CID 58716855
N-(3-methoxypropyl)-2-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]acetamide
CID 55543914
(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 828823
N-(3-methoxypropyl)-2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperazin-1-yl]acetamide
CID 55550560
[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 46092149
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
[4-[3-[4-[4-(3,5-dimethoxy-4-methylphenyl)benzoyl]piperazin-1-yl]propyl]piperazin-1-yl]-[4-(3,5-dimethoxyphenyl)phenyl]methanone
CID 142839476
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 117079357
N-(3-methoxypropyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8945118
[4-(2,3-difluorophenyl)phenyl]-[4-(2-ethoxyethyl)piperazin-1-yl]methanone
CID 118791120
[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 31112745

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
The IUPAC name of [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone (CID 119071315) is [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone.
What is the SMILES notation for [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
The canonical SMILES for [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone is COCCCCN1CCN(C(=O)c2ccc(-c3cccc(C)n3)cc2)CC1.
What is the InChIKey of [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
The InChIKey is RROHUGRWFMSRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-18-6-5-7-21(23-18)19-8-10-20(11-9-19)22(26)25-15-13-24(14-16-25)12-3-4-17-27-2/h5-11H,3-4,12-17H2,1-2H3.
What are the key properties of [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone?
[4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybutyl)piperazin-1-yl]-[4-(6-methyl-2-pyridinyl)phenyl]methanone is sourced from PubChem (CID 119071315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).