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

C21H28N4O — CID 11494093

IUPACN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O/c1-18-8-7-11-20(23-18)25-16-14-24(15-17-25)13-6-5-12-22-21(26)19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26)
InChIKeyIQJMNZLVYKGIIF-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.72
Rot. Bonds7

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

N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide (PubChem CID 11494093) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
PubChem CID11494093
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
SMILESCc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C21H28N4O/c1-18-8-7-11-20(23-18)25-16-14-24(15-17-25)13-6-5-12-22-21(26)19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26)
InChIKeyIQJMNZLVYKGIIF-UHFFFAOYSA-N
XLogP2.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Lasmiditan
CID 11610526
(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
BPKDi
CID 46901383
N-(pyridin-2-yl)benzamide
CID 219990
1,3-Benzenedicarboxamide, N,N'-bis(6-methyl-2-pyridinyl)-
CID 720149
L-375378
CID 154118
N-(2-(6-amino-4-methylpyridin-2-yl)ethyl)-4-cyanobenzamide
CID 10221335
AF-DX-384
CID 119357
7-Dimethylamino-2-phenyl-[1,8]naphthyridin-4-ol
CID 10378184
2-(4-methylpiperazin-1-yl)-5H-benzo(c)(1,5)naphthyridin-6-one
CID 9796149
Pyridine amide, 13
CID 44236999
4-Pyrimidinecarboxamide,2-amino-n-[(3-methyl-2-pyridinyl)methyl]-6-phenyl-
CID 44520988

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide (CID 11494093) is N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide is Cc1cccc(N2CCN(CCCCNC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is IQJMNZLVYKGIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-18-8-7-11-20(23-18)25-16-14-24(15-17-25)13-6-5-12-22-21(26)19-9-3-2-4-10-19/h2-4,7-11H,5-6,12-17H2,1H3,(H,22,26).
What are the key properties of N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide?
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 11494093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).