N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide

C16H26N4O — CID 122562374

IUPACN-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCCC(CC)NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H26N4O/c1-3-5-14(4-2)18-16(21)20-12-10-19(11-13-20)15-6-8-17-9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKeyWVTKOXFDEFFCGU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds5

About N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide

N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 122562374) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID122562374
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCCC(CC)NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H26N4O/c1-3-5-14(4-2)18-16(21)20-12-10-19(11-13-20)15-6-8-17-9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKeyWVTKOXFDEFFCGU-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
methyl 2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)acetate
CID 67665335
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126440928
4-pyridin-4-yl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 47016737
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 60595616
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126429294
N-(4-ethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986398
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986479
N-[(2R)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394965
N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47750340

Frequently Asked Questions

What is the IUPAC name of N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide (CID 122562374) is N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide is CCCC(CC)NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is WVTKOXFDEFFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-5-14(4-2)18-16(21)20-12-10-19(11-13-20)15-6-8-17-9-7-15/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,21).
What are the key properties of N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide?
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122562374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).