2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide

C21H27N3O4 — CID 97270027

IUPAC2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3cc(C)no3)C2)cc1
InChIInChI=1S/C21H27N3O4/c1-15-10-19(28-23-15)12-21(26)24-9-3-4-17(14-24)13-22-20(25)11-16-5-7-18(27-2)8-6-16/h5-8,10,17H,3-4,9,11-14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyHMHAYZQEUUIFSH-KRWDZBQOSA-N
MW385.46 g/mol
LogP2.13
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide

2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide (PubChem CID 97270027) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide
PubChem CID97270027
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3cc(C)no3)C2)cc1
InChIInChI=1S/C21H27N3O4/c1-15-10-19(28-23-15)12-21(26)24-9-3-4-17(14-24)13-22-20(25)11-16-5-7-18(27-2)8-6-16/h5-8,10,17H,3-4,9,11-14H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyHMHAYZQEUUIFSH-KRWDZBQOSA-N
XLogP2.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide 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

2-(4-methoxyphenyl)-N-[[(3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 25280484
N-[[(3S)-1-(1,3-benzodioxole-5-carbonyl)piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 25451717
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
ethyl 4-[3-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45252331
2-(3-methyl-1,2-oxazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 142572752
3-[(3S)-1-[2-(4-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124686051
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
3,5-dimethoxy-N-[[(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 26393347
N-[[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723823
N-[[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]methyl]butanamide
CID 95295388
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide (CID 97270027) is 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide is COc1ccc(CC(=O)NC[C@@H]2CCCN(C(=O)Cc3cc(C)no3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is HMHAYZQEUUIFSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15-10-19(28-23-15)12-21(26)24-9-3-4-17(14-24)13-22-20(25)11-16-5-7-18(27-2)8-6-16/h5-8,10,17H,3-4,9,11-14H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide?
2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).