(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide

C20H30N2O3 — CID 128980543

IUPAC(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)ccc1C
InChIInChI=1S/C20H30N2O3/c1-14-4-5-15(12-18(14)24-3)13-21-20(23)17-8-11-25-19(17)16-6-9-22(2)10-7-16/h4-5,12,16-17,19H,6-11,13H2,1-3H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyFQNYCIRUTZXOHU-PKOBYXMFSA-N
MW346.47 g/mol
LogP2.37
Rot. Bonds5

About (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide

(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (PubChem CID 128980543) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
PubChem CID128980543
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCOc1cc(CNC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)ccc1C
InChIInChI=1S/C20H30N2O3/c1-14-4-5-15(12-18(14)24-3)13-21-20(23)17-8-11-25-19(17)16-6-9-22(2)10-7-16/h4-5,12,16-17,19H,6-11,13H2,1-3H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyFQNYCIRUTZXOHU-PKOBYXMFSA-N
XLogP2.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide with MolForge

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Related Compounds

2-[(3-methoxy-4-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975519
(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
CID 128986871
2-ethyl-N-[(3-methoxy-4-methylphenyl)methyl]oxane-3-carboxamide
CID 128995855
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
(2S)-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 166226032
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
trans-(1S,2S)-2-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylate
CID 6957823
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (CID 128980543) is (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is COc1cc(CNC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)ccc1C.
What is the InChIKey of (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The InChIKey is FQNYCIRUTZXOHU-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-4-5-15(12-18(14)24-3)13-21-20(23)17-8-11-25-19(17)16-6-9-22(2)10-7-16/h4-5,12,16-17,19H,6-11,13H2,1-3H3,(H,21,23)/t17-,19+/m0/s1.
What are the key properties of (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
(2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(3-methoxy-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128980543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).