(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C19H27NO3 — CID 70711001

IUPAC(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3(C)CCCCO3)CC2)cc1
InChIInChI=1S/C19H27NO3/c1-15-5-7-16(8-6-15)23-17-9-12-20(13-10-17)18(21)19(2)11-3-4-14-22-19/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyNRSLEZQQNYRLNW-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.32
Rot. Bonds3

About (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 70711001) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID70711001
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3(C)CCCCO3)CC2)cc1
InChIInChI=1S/C19H27NO3/c1-15-5-7-16(8-6-15)23-17-9-12-20(13-10-17)18(21)19(2)11-3-4-14-22-19/h5-8,17H,3-4,9-14H2,1-2H3
InChIKeyNRSLEZQQNYRLNW-UHFFFAOYSA-N
XLogP3.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
[(2R)-2-methyloxolan-2-yl]-[4-[4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenoxy]piperidin-1-yl]methanone
CID 157475662
[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
CID 138050980
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
2-azaspiro[3.4]octan-3-yl-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 138033034
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
(1-aminocyclohexyl)-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119308982
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
(3-methoxyphenyl)-[4-(2-methyloxane-2-carbonyl)piperazin-1-yl]methanone
CID 70732555
[(2S)-2-methyloxolan-2-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 124572044
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 70711001) is (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3(C)CCCCO3)CC2)cc1.
What is the InChIKey of (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is NRSLEZQQNYRLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15-5-7-16(8-6-15)23-17-9-12-20(13-10-17)18(21)19(2)11-3-4-14-22-19/h5-8,17H,3-4,9-14H2,1-2H3.
What are the key properties of (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 317.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70711001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).