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

C19H27FN2O2 — CID 128975664

IUPAC(2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)cc1F
InChIInChI=1S/C19H27FN2O2/c1-13-3-4-14(11-17(13)20)12-21-19(23)16-7-10-24-18(16)15-5-8-22(2)9-6-15/h3-4,11,15-16,18H,5-10,12H2,1-2H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyJEMJKBOTEBLHBR-FUHWJXTLSA-N
MW334.44 g/mol
LogP2.50
Rot. Bonds4

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

(2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (PubChem CID 128975664) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
PubChem CID128975664
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name(2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)cc1F
InChIInChI=1S/C19H27FN2O2/c1-13-3-4-14(11-17(13)20)12-21-19(23)16-7-10-24-18(16)15-5-8-22(2)9-6-15/h3-4,11,15-16,18H,5-10,12H2,1-2H3,(H,21,23)/t16-,18+/m0/s1
InChIKeyJEMJKBOTEBLHBR-FUHWJXTLSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorobenzyl)-3-[1-(3-methoxypropanoyl)piperidin-3-yl]propanamide
CID 16188105
N-benzyl-3-(oxolan-2-yl)butanamide
CID 2837669
N-(2-fluorobenzyl)-3-[1-(3-methoxypropanoyl)-3-piperidinyl]propanamide
CID 45226167
(4R,4aR,8aR)-N-(cyclopropylmethyl)-6-[(4-fluorophenyl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97380948
2-(8-benzyl-1-oxa-8-azaspiro[4.5]decan-3-yl)-N-propan-2-ylacetamide
CID 118743994
(1S,5R,6S)-N-methyl-3-[(4-methylphenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155546389
(1S,5R,6S)-N-benzyl-3-(3-methylbutyl)-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155569013
1-[(2,4-Difluorophenyl)methyl]-3-{[1-(oxolan-3-yl)ethyl]amino}piperidin-2-one
CID 122139176
2-oxo-N-(2-(tetrahydrofuran-2-yl)-1-(p-tolyl)ethyl)-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
CID 171903985
(2R,3S)-2-[1-[(3-cyano-4-fluorophenyl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978902
N-{[8-(2-fluorobenzyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-3-methylbutanamide
CID 45167881
N-{[8-(2,6-difluorobenzyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-2-methylpropanamide
CID 45179422

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide (CID 128975664) is (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C2CCN(C)CC2)cc1F.
What is the InChIKey of (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
The InChIKey is JEMJKBOTEBLHBR-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-13-3-4-14(11-17(13)20)12-21-19(23)16-7-10-24-18(16)15-5-8-22(2)9-6-15/h3-4,11,15-16,18H,5-10,12H2,1-2H3,(H,21,23)/t16-,18+/m0/s1.
What are the key properties of (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide?
(2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(1-methylpiperidin-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128975664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).