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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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).