(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one

C18H24N2O3 — CID 84593768

IUPAC(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1COC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1
InChIInChI=1S/C18H24N2O3/c1-13-4-2-3-5-14(13)12-23-15-8-10-20(11-9-15)18(22)16-6-7-17(21)19-16/h2-5,15-16H,6-12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyMJAJILKRVKFMDE-MRXNPFEDSA-N
MW316.40 g/mol
LogP1.78
Rot. Bonds4

About (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 84593768) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID84593768
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccccc1COC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1
InChIInChI=1S/C18H24N2O3/c1-13-4-2-3-5-14(13)12-23-15-8-10-20(11-9-15)18(22)16-6-7-17(21)19-16/h2-5,15-16H,6-12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyMJAJILKRVKFMDE-MRXNPFEDSA-N
XLogP1.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one (CID 84593768) is (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1ccccc1COC1CCN(C(=O)[C@H]2CCC(=O)N2)CC1.
What is the InChIKey of (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is MJAJILKRVKFMDE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-4-2-3-5-14(13)12-23-15-8-10-20(11-9-15)18(22)16-6-7-17(21)19-16/h2-5,15-16H,6-12H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 316.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(2-methylphenyl)methoxy]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 84593768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).