5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide

C18H26N2O2 — CID 167988844

IUPAC5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)Nc2ccc(C3CCOCC3)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-13-10-16(12-19-11-13)18(21)20-17-4-2-14(3-5-17)15-6-8-22-9-7-15/h2-5,13,15-16,19H,6-12H2,1H3,(H,20,21)
InChIKeyJHWQMFASDMFLJX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds3

About 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide

5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide (PubChem CID 167988844) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
PubChem CID167988844
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide
SMILESCC1CNCC(C(=O)Nc2ccc(C3CCOCC3)cc2)C1
InChIInChI=1S/C18H26N2O2/c1-13-10-16(12-19-11-13)18(21)20-17-4-2-14(3-5-17)15-6-8-22-9-7-15/h2-5,13,15-16,19H,6-12H2,1H3,(H,20,21)
InChIKeyJHWQMFASDMFLJX-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
CID 175615486
N-(6-cyclohexyl-3-pyridinyl)-5-methylpiperidine-3-carboxamide
CID 167808044
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
(3S)-N-[4-(1-tert-butylpiperidin-4-yl)phenyl]pyrrolidine-3-carboxamide
CID 90012477
5-methyl-N-(oxolan-3-yl)piperidine-3-carboxamide
CID 80712802
(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride
CID 175699695
N-(2,6-difluoro-3-methylphenyl)-5-methylpiperidine-3-carboxamide
CID 82818844
sodium;acetic acid;hydride;N-(4-piperidin-4-ylphenyl)piperidine-4-carboxamide
CID 173252213
5-methyl-1-[[4-(oxolan-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122103192
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride
CID 67239714

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide (CID 167988844) is 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide is CC1CNCC(C(=O)Nc2ccc(C3CCOCC3)cc2)C1.
What is the InChIKey of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is JHWQMFASDMFLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-10-16(12-19-11-13)18(21)20-17-4-2-14(3-5-17)15-6-8-22-9-7-15/h2-5,13,15-16,19H,6-12H2,1H3,(H,20,21).
What are the key properties of 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide?
5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(oxan-4-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167988844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).