5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide

C21H28N4O3 — CID 109184245

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)cn1
InChIInChI=1S/C21H28N4O3/c1-27-15-5-10-22-21(26)18-9-8-17(16-23-18)24-11-13-25(14-12-24)19-6-3-4-7-20(19)28-2/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,22,26)
InChIKeyDNECVHSCOSTDCP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.18
Rot. Bonds8

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide (PubChem CID 109184245) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
PubChem CID109184245
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)cn1
InChIInChI=1S/C21H28N4O3/c1-27-15-5-10-22-21(26)18-9-8-17(16-23-18)24-11-13-25(14-12-24)19-6-3-4-7-20(19)28-2/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,22,26)
InChIKeyDNECVHSCOSTDCP-UHFFFAOYSA-N
XLogP2.18
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181067
N-(3-methoxypropyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183419
5-(4-benzylpiperidin-1-yl)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184262
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365209
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
5-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183834
[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186297
[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109186471
N-(2-methoxyethyl)-5-piperazin-1-ylpyridine-2-carboxamide
CID 166082465
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109194312

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide (CID 109184245) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide is COCCCNC(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)cn1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide?
The InChIKey is DNECVHSCOSTDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-15-5-10-22-21(26)18-9-8-17(16-23-18)24-11-13-25(14-12-24)19-6-3-4-7-20(19)28-2/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,22,26).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109184245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).