2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide

C19H24ClN3O4 — CID 166389450

IUPAC2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC[C@H]1O
InChIInChI=1S/C19H24ClN3O4/c20-14-3-1-2-12(8-14)9-17(25)22-15-11-23(7-5-16(15)24)18(26)10-13-4-6-21-19(13)27/h1-3,8,13,15-16,24H,4-7,9-11H2,(H,21,27)(H,22,25)/t13-,15+,16+/m0/s1
InChIKeyDSHIAADRUQJFPU-NUEKZKHPSA-N
MW393.87 g/mol
LogP0.49
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide

2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide (PubChem CID 166389450) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide
PubChem CID166389450
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC[C@H]1O
InChIInChI=1S/C19H24ClN3O4/c20-14-3-1-2-12(8-14)9-17(25)22-15-11-23(7-5-16(15)24)18(26)10-13-4-6-21-19(13)27/h1-3,8,13,15-16,24H,4-7,9-11H2,(H,21,27)(H,22,25)/t13-,15+,16+/m0/s1
InChIKeyDSHIAADRUQJFPU-NUEKZKHPSA-N
XLogP0.49
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-2-(3-chlorophenyl)acetamide
CID 91832335
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CID 62504630
3-(3-chlorophenyl)-N-[(3S,4S)-4-methyl-2-oxopiperidin-3-yl]propanamide
CID 100713492
1-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethanone
CID 125118018
3-(3-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561954
2-(3-chlorophenyl)-N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]acetamide
CID 91922788
2-(3-chloro-4-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]acetamide
CID 167911024
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
N-[(3aR,5S,6S,7aS)-6-hydroxy-2-(pyridin-3-ylmethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]-2-(3-chlorophenyl)acetamide
CID 172655295
N-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108924893
2-(3-chlorophenyl)-1-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 97061949

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide (CID 166389450) is 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide is O=C(Cc1cccc(Cl)c1)N[C@@H]1CN(C(=O)C[C@@H]2CCNC2=O)CC[C@H]1O.
What is the InChIKey of 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide?
The InChIKey is DSHIAADRUQJFPU-NUEKZKHPSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c20-14-3-1-2-12(8-14)9-17(25)22-15-11-23(7-5-16(15)24)18(26)10-13-4-6-21-19(13)27/h1-3,8,13,15-16,24H,4-7,9-11H2,(H,21,27)(H,22,25)/t13-,15+,16+/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide?
2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide has a molecular weight of 393.87 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 166389450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).