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

C18H26N2O2 — CID 138050980

IUPAC[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@@]3(C)CCCN3)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-14-4-6-15(7-5-14)22-16-8-12-20(13-9-16)17(21)18(2)10-3-11-19-18/h4-7,16,19H,3,8-13H2,1-2H3/t18-/m1/s1
InChIKeyRDJZUEVVODSDMR-GOSISDBHSA-N
MW302.42 g/mol
LogP2.51
Rot. Bonds3

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

[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone (PubChem CID 138050980) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
PubChem CID138050980
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)[C@@]3(C)CCCN3)CC2)cc1
InChIInChI=1S/C18H26N2O2/c1-14-4-6-15(7-5-14)22-16-8-12-20(13-9-16)17(21)18(2)10-3-11-19-18/h4-7,16,19H,3,8-13H2,1-2H3/t18-/m1/s1
InChIKeyRDJZUEVVODSDMR-GOSISDBHSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 119292106
(2-methyloxan-2-yl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 70711001
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-amino-1-[4-(4-methylphenoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119292107
(1-aminocyclohexyl)-(4-phenoxypiperidin-1-yl)methanone
CID 119290343
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
[4-(4-methylphenoxy)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120622997
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090
(3S)-1-[4-(4-methylphenoxy)piperidin-1-yl]-3-methylsulfanylbutan-1-one
CID 124569340
(1-aminocyclopropyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725071

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone?
The IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone (CID 138050980) is [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone is Cc1ccc(OC2CCN(C(=O)[C@@]3(C)CCCN3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone?
The InChIKey is RDJZUEVVODSDMR-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-4-6-15(7-5-14)22-16-8-12-20(13-9-16)17(21)18(2)10-3-11-19-18/h4-7,16,19H,3,8-13H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone?
[4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-1-yl]-[(2R)-2-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 138050980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).