5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide

C21H26N4O2 — CID 109231191

IUPAC5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2cncc(C(=O)NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(26)24-10-12-25(13-11-24)20-14-19(15-22-16-20)21(27)23-9-5-8-18-6-3-2-4-7-18/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,27)
InChIKeyFUOWIIWQHNAXLL-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.11
Rot. Bonds6

About 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide

5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide (PubChem CID 109231191) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
PubChem CID109231191
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide
SMILESCC(=O)N1CCN(c2cncc(C(=O)NCCCc3ccccc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-17(26)24-10-12-25(13-11-24)20-14-19(15-22-16-20)21(27)23-9-5-8-18-6-3-2-4-7-18/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,27)
InChIKeyFUOWIIWQHNAXLL-UHFFFAOYSA-N
XLogP2.11
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.11
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-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 109231183
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
CID 109231167
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
6-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109117114
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
N-[2-(4-fluorophenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230260
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
5-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-3-carboxamide
CID 109104756
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230262

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide (CID 109231191) is 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide is CC(=O)N1CCN(c2cncc(C(=O)NCCCc3ccccc3)c2)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
The InChIKey is FUOWIIWQHNAXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-17(26)24-10-12-25(13-11-24)20-14-19(15-22-16-20)21(27)23-9-5-8-18-6-3-2-4-7-18/h2-4,6-7,14-16H,5,8-13H2,1H3,(H,23,27).
What are the key properties of 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide?
5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-N-(3-phenylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109231191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).