4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide

C18H26N4O2 — CID 109204747

IUPAC4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccnc(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C18H26N4O2/c1-14(23)21-9-11-22(12-10-21)16-7-8-19-17(13-16)18(24)20-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,20,24)
InChIKeyIIJRAWSACVIRRB-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.81
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide

4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide (PubChem CID 109204747) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
PubChem CID109204747
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccnc(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C18H26N4O2/c1-14(23)21-9-11-22(12-10-21)16-7-8-19-17(13-16)18(24)20-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,20,24)
InChIKeyIIJRAWSACVIRRB-UHFFFAOYSA-N
XLogP1.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-cyclopropylpyridine-2-carboxamide
CID 109201701
4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
2-(4-acetylpiperazine-1-carbonyl)-N-cyclohexylpyridine-4-carboxamide
CID 109081367
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
4-(4-acetylpiperazin-1-yl)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209202
N-cyclohexyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080315
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
4-(4-acetylpiperazin-1-yl)pyridine-2-carbothioamide
CID 55154931
N-cycloheptyl-4-hydrazinylpyridine-2-carboxamide
CID 62241897
ethyl 4-[[4-(4-methylpiperidin-1-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109205297
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide (CID 109204747) is 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide is CC(=O)N1CCN(c2ccnc(C(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide?
The InChIKey is IIJRAWSACVIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(23)21-9-11-22(12-10-21)16-7-8-19-17(13-16)18(24)20-15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,20,24).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide?
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide is sourced from PubChem (CID 109204747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).