N-hexyl-2-piperidin-4-ylbenzamide

C18H28N2O — CID 170456896

IUPACN-hexyl-2-piperidin-4-ylbenzamide
SMILESCCCCCCNC(=O)c1ccccc1C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-3-4-7-12-20-18(21)17-9-6-5-8-16(17)15-10-13-19-14-11-15/h5-6,8-9,15,19H,2-4,7,10-14H2,1H3,(H,20,21)
InChIKeyNZLMEXVEPDKTFN-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.46
Rot. Bonds7

About N-hexyl-2-piperidin-4-ylbenzamide

N-hexyl-2-piperidin-4-ylbenzamide (PubChem CID 170456896) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-hexyl-2-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-hexyl-2-piperidin-4-ylbenzamide
PubChem CID170456896
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-hexyl-2-piperidin-4-ylbenzamide
SMILESCCCCCCNC(=O)c1ccccc1C1CCNCC1
InChIInChI=1S/C18H28N2O/c1-2-3-4-7-12-20-18(21)17-9-6-5-8-16(17)15-10-13-19-14-11-15/h5-6,8-9,15,19H,2-4,7,10-14H2,1H3,(H,20,21)
InChIKeyNZLMEXVEPDKTFN-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2-piperazin-1-ylbenzamide
CID 35752714
N-hexyl-2-methylbenzamide
CID 3017102
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-ethyl-2-methyl-3-piperidin-4-ylbenzamide;hydrochloride
CID 171362043
N-cyclohexyl-2-piperidin-4-ylbenzamide;hydrochloride
CID 170456891
2-amino-N-dodecylbenzamide
CID 54099396
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(hydroxymethyl)-N-tetradecylbenzamide
CID 23299401
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-piperidin-4-ylbenzamide?
The IUPAC name of N-hexyl-2-piperidin-4-ylbenzamide (CID 170456896) is N-hexyl-2-piperidin-4-ylbenzamide.
What is the SMILES notation for N-hexyl-2-piperidin-4-ylbenzamide?
The canonical SMILES for N-hexyl-2-piperidin-4-ylbenzamide is CCCCCCNC(=O)c1ccccc1C1CCNCC1.
What is the InChIKey of N-hexyl-2-piperidin-4-ylbenzamide?
The InChIKey is NZLMEXVEPDKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-3-4-7-12-20-18(21)17-9-6-5-8-16(17)15-10-13-19-14-11-15/h5-6,8-9,15,19H,2-4,7,10-14H2,1H3,(H,20,21).
What are the key properties of N-hexyl-2-piperidin-4-ylbenzamide?
N-hexyl-2-piperidin-4-ylbenzamide has a molecular weight of 288.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-piperidin-4-ylbenzamide is sourced from PubChem (CID 170456896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).