2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide

C18H26N2O2 — CID 119425325

IUPAC2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
SMILESCc1ccc(C2OCCCC2C(=O)NC2CCCNC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13-6-8-14(9-7-13)17-16(5-3-11-22-17)18(21)20-15-4-2-10-19-12-15/h6-9,15-17,19H,2-5,10-12H2,1H3,(H,20,21)
InChIKeyOFXPVGAYYXOCJK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.33
Rot. Bonds3

About 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide

2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide (PubChem CID 119425325) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
PubChem CID119425325
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide
SMILESCc1ccc(C2OCCCC2C(=O)NC2CCCNC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13-6-8-14(9-7-13)17-16(5-3-11-22-17)18(21)20-15-4-2-10-19-12-15/h6-9,15-17,19H,2-5,10-12H2,1H3,(H,20,21)
InChIKeyOFXPVGAYYXOCJK-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)oxan-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119343321
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)oxane-3-carboxamide
CID 119445798
2-[[(2S,3S)-2-(4-methylphenyl)oxane-3-carbonyl]amino]acetic acid
CID 125151438
2-(4-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 120812341
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 119794651
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide
CID 119461037
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
N-[3-(methylamino)propyl]-2-(4-methylphenyl)oxane-3-carboxamide
CID 119430513
(2R,3R)-2-(4-methylphenyl)-N-(2H-tetrazol-5-yl)oxane-3-carboxamide
CID 96565011
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
4-[[2-(4-methylphenyl)oxane-3-carbonyl]amino]butanoic acid
CID 119171119
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylphenyl)oxane-3-carboxamide
CID 120882466

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide (CID 119425325) is 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide is Cc1ccc(C2OCCCC2C(=O)NC2CCCNC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide?
The InChIKey is OFXPVGAYYXOCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-6-8-14(9-7-13)17-16(5-3-11-22-17)18(21)20-15-4-2-10-19-12-15/h6-9,15-17,19H,2-5,10-12H2,1H3,(H,20,21).
What are the key properties of 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide?
2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-piperidin-3-yloxane-3-carboxamide is sourced from PubChem (CID 119425325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).