N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide

C21H28N4O2 — CID 11639248

IUPACN-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-27-20-11-7-10-19(23-20)25-16-14-24(15-17-25)13-6-5-12-22-21(26)18-8-3-2-4-9-18/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26)
InChIKeyJZXUXPRHDPKHEU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.42
Rot. Bonds8

About N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide

N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide (PubChem CID 11639248) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
PubChem CID11639248
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
SMILESCOc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-27-20-11-7-10-19(23-20)25-16-14-24(15-17-25)13-6-5-12-22-21(26)18-8-3-2-4-9-18/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26)
InChIKeyJZXUXPRHDPKHEU-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N,N-dimethyl-benzamide
CID 53312066
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
N-[6-[2-[[1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methylamino]ethoxy]-2-pyridinyl]acetamide
CID 132256803
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[2-[[6-(methylamino)-2-pyridinyl]oxy]ethylamino]methyl]piperidin-1-yl]methanone
CID 132257177
(3-Chloro-4-fluorophenyl)-[4-[[2-[[6-(dimethylamino)-2-pyridinyl]oxy]ethylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 138692462
N-(2-(4-(3-cyanopyridin-2-yl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 49788869
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
[4-[6-Amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 53311068
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-methyl-benzamide
CID 53312149
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-morpholinoethyl)benzamide
CID 53312237
4-[6-amino-5-(6-methoxy-3-pyridyl)-3-pyridyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 53312321

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide (CID 11639248) is N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide is COc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is JZXUXPRHDPKHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-20-11-7-10-19(23-20)25-16-14-24(15-17-25)13-6-5-12-22-21(26)18-8-3-2-4-9-18/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26).
What are the key properties of N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 368.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11639248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).