N-(oxan-4-yl)-3-piperidin-3-ylbenzamide

C17H24N2O2 — CID 72929208

IUPACN-(oxan-4-yl)-3-piperidin-3-ylbenzamide
SMILESO=C(NC1CCOCC1)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C17H24N2O2/c20-17(19-16-6-9-21-10-7-16)14-4-1-3-13(11-14)15-5-2-8-18-12-15/h1,3-4,11,15-16,18H,2,5-10,12H2,(H,19,20)
InChIKeyGXALTHGUYGMRAY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds3

About N-(oxan-4-yl)-3-piperidin-3-ylbenzamide

N-(oxan-4-yl)-3-piperidin-3-ylbenzamide (PubChem CID 72929208) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-piperidin-3-ylbenzamide
PubChem CID72929208
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(oxan-4-yl)-3-piperidin-3-ylbenzamide
SMILESO=C(NC1CCOCC1)c1cccc(C2CCCNC2)c1
InChIInChI=1S/C17H24N2O2/c20-17(19-16-6-9-21-10-7-16)14-4-1-3-13(11-14)15-5-2-8-18-12-15/h1,3-4,11,15-16,18H,2,5-10,12H2,(H,19,20)
InChIKeyGXALTHGUYGMRAY-UHFFFAOYSA-N
XLogP2.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N1,N3-Bis(2,2,6,6-tetramethylpiperidin-4-YL)isophthalamide
CID 6451919
N-(2,2,6,6-Tetramethyl-piperidin-4-yl)-benzamide
CID 775004
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N-(3-morpholin-4-ylpropyl)-4-propan-2-ylbenzamide
CID 2164117
3-(2-Phenyl-2-(piperazin-1-yl)ethyl)benzamide
CID 44414732
N-cyclohexyl-1-(2-methylbenzoyl)-4-piperidinecarboxamide
CID 801556
3,5-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 912566
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2200216
2,4-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2201629
2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 651523
N-cyclopropyl-4-methyl-3-[4-(3-morpholin-4-ylpropylcarbamoyl)phenyl]benzamide
CID 44578534
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,3-dimethylbenzamide;hydrochloride
CID 45264929

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-piperidin-3-ylbenzamide?
The IUPAC name of N-(oxan-4-yl)-3-piperidin-3-ylbenzamide (CID 72929208) is N-(oxan-4-yl)-3-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(oxan-4-yl)-3-piperidin-3-ylbenzamide?
The canonical SMILES for N-(oxan-4-yl)-3-piperidin-3-ylbenzamide is O=C(NC1CCOCC1)c1cccc(C2CCCNC2)c1.
What is the InChIKey of N-(oxan-4-yl)-3-piperidin-3-ylbenzamide?
The InChIKey is GXALTHGUYGMRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(19-16-6-9-21-10-7-16)14-4-1-3-13(11-14)15-5-2-8-18-12-15/h1,3-4,11,15-16,18H,2,5-10,12H2,(H,19,20).
What are the key properties of N-(oxan-4-yl)-3-piperidin-3-ylbenzamide?
N-(oxan-4-yl)-3-piperidin-3-ylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-piperidin-3-ylbenzamide is sourced from PubChem (CID 72929208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).