(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C22H33N3O5 — CID 110197462

IUPAC(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C22H33N3O5/c1-16-4-3-5-19(12-16)30-15-21(27)24-9-6-17(7-10-24)25-14-18(26)13-20(25)22(28)23-8-11-29-2/h3-5,12,17-18,20,26H,6-11,13-15H2,1-2H3,(H,23,28)/t18-,20+/m1/s1
InChIKeyDXJDRIZMMVZUQP-QUCCMNQESA-N
MW419.52 g/mol
LogP0.56
Rot. Bonds8

About (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 110197462) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID110197462
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOCCNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C22H33N3O5/c1-16-4-3-5-19(12-16)30-15-21(27)24-9-6-17(7-10-24)25-14-18(26)13-20(25)22(28)23-8-11-29-2/h3-5,12,17-18,20,26H,6-11,13-15H2,1-2H3,(H,23,28)/t18-,20+/m1/s1
InChIKeyDXJDRIZMMVZUQP-QUCCMNQESA-N
XLogP0.56
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-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

(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197432
(2S,4R)-1-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-4-hydroxy-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 155880750
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
(2S,4R)-1-(1-butanoylpiperidin-4-yl)-4-hydroxy-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 110197258
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
(2S,4R)-N-(2,4-dimethylphenyl)-4-hydroxy-1-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197341
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 66053732
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 51327383
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615
4-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 114421374

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 110197462) is (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is COCCNC(=O)[C@@H]1C[C@@H](O)CN1C1CCN(C(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is DXJDRIZMMVZUQP-QUCCMNQESA-N. The full InChI is InChI=1S/C22H33N3O5/c1-16-4-3-5-19(12-16)30-15-21(27)24-9-6-17(7-10-24)25-14-18(26)13-20(25)22(28)23-8-11-29-2/h3-5,12,17-18,20,26H,6-11,13-15H2,1-2H3,(H,23,28)/t18-,20+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-N-(2-methoxyethyl)-1-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 110197462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).