N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

C22H28N4O2 — CID 109048339

IUPACN-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESCCCCCNC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-2-3-5-13-24-21(27)18-8-10-19(11-9-18)22(28)26-16-14-25(15-17-26)20-7-4-6-12-23-20/h4,6-12H,2-3,5,13-17H2,1H3,(H,24,27)
InChIKeyRPDMJSNEYSMARR-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.96
Rot. Bonds7

About N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (PubChem CID 109048339) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
PubChem CID109048339
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESCCCCCNC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-2-3-5-13-24-21(27)18-8-10-19(11-9-18)22(28)26-16-14-25(15-17-26)20-7-4-6-12-23-20/h4,6-12H,2-3,5,13-17H2,1H3,(H,24,27)
InChIKeyRPDMJSNEYSMARR-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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

(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
N-pentyl-6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68737275
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-hexyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737746
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
N-[2-[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111220774
N-ethyl-4-[[[ethylamino-(4-pyridin-2-ylpiperazin-1-yl)methylidene]amino]methyl]benzamide
CID 111221135
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (CID 109048339) is N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is CCCCCNC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The InChIKey is RPDMJSNEYSMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-2-3-5-13-24-21(27)18-8-10-19(11-9-18)22(28)26-16-14-25(15-17-26)20-7-4-6-12-23-20/h4,6-12H,2-3,5,13-17H2,1H3,(H,24,27).
What are the key properties of N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide has a molecular weight of 380.49 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109048339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).