5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide

C22H28N4O2 — CID 109101958

IUPAC5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-2-3-9-24-21(27)19-14-20(16-23-15-19)22(28)26-12-10-25(11-13-26)17-18-7-5-4-6-8-18/h4-8,14-16H,2-3,9-13,17H2,1H3,(H,24,27)
InChIKeyBTBBNEMRYKLASB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.57
Rot. Bonds7

About 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide

5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide (PubChem CID 109101958) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
PubChem CID109101958
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide
SMILESCCCCNC(=O)c1cncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N4O2/c1-2-3-9-24-21(27)19-14-20(16-23-15-19)22(28)26-12-10-25(11-13-26)17-18-7-5-4-6-8-18/h4-8,14-16H,2-3,9-13,17H2,1H3,(H,24,27)
InChIKeyBTBBNEMRYKLASB-UHFFFAOYSA-N
XLogP2.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.57
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

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
N-butyl-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109101971
2-(4-benzylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077665
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
(4-benzylpiperazin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227858
(4-benzylpiperazin-1-yl)-[6-(pentylamino)-3-pyridinyl]methanone
CID 109159554
[5-(benzylamino)-3-pyridinyl]-(4-benzylpiperazin-1-yl)methanone
CID 109231814
(4-benzylpiperazin-1-yl)-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229924
5-(4-formylpiperazine-1-carbonyl)-N-propylpyridine-3-carboxamide
CID 109101150
(4-benzylpiperazin-1-yl)-pyrimidin-5-ylmethanone
CID 110853065
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106571

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide?
The IUPAC name of 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide (CID 109101958) is 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide is CCCCNC(=O)c1cncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide?
The InChIKey is BTBBNEMRYKLASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-3-9-24-21(27)19-14-20(16-23-15-19)22(28)26-12-10-25(11-13-26)17-18-7-5-4-6-8-18/h4-8,14-16H,2-3,9-13,17H2,1H3,(H,24,27).
What are the key properties of 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide?
5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazine-1-carbonyl)-N-butylpyridine-3-carboxamide is sourced from PubChem (CID 109101958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).