2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide

C23H26N4O2 — CID 99740798

IUPAC2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESCc1cccc(OCC(=O)N[C@@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1
InChIInChI=1S/C23H26N4O2/c1-17-7-5-11-20(13-17)29-16-23(28)24-19-10-6-12-27(15-19)22-14-21(25-26-22)18-8-3-2-4-9-18/h2-5,7-9,11,13-14,19H,6,10,12,15-16H2,1H3,(H,24,28)(H,25,26)/t19-/m1/s1
InChIKeyNVTDMVVRYNENQM-LJQANCHMSA-N
MW390.49 g/mol
LogP3.55
Rot. Bonds6

About 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide

2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (PubChem CID 99740798) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
PubChem CID99740798
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
SMILESCc1cccc(OCC(=O)N[C@@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1
InChIInChI=1S/C23H26N4O2/c1-17-7-5-11-20(13-17)29-16-23(28)24-19-10-6-12-27(15-19)22-14-21(25-26-22)18-8-3-2-4-9-18/h2-5,7-9,11,13-14,19H,6,10,12,15-16H2,1H3,(H,24,28)(H,25,26)/t19-/m1/s1
InChIKeyNVTDMVVRYNENQM-LJQANCHMSA-N
XLogP3.55
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]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-(3-methylphenyl)-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740846
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
CID 91904760
2-cyclohexyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756157
2-(4-fluorophenyl)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99756596
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-2-thiophen-3-ylacetamide
CID 91887783
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99756654
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-3-(trifluoromethoxy)benzamide
CID 91887797
3-fluoro-4-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740769
N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 99756595
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 91904766
3-bromo-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 99740851

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide (CID 99740798) is 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is Cc1cccc(OCC(=O)N[C@@H]2CCCN(c3cc(-c4ccccc4)[nH]n3)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
The InChIKey is NVTDMVVRYNENQM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-7-5-11-20(13-17)29-16-23(28)24-19-10-6-12-27(15-19)22-14-21(25-26-22)18-8-3-2-4-9-18/h2-5,7-9,11,13-14,19H,6,10,12,15-16H2,1H3,(H,24,28)(H,25,26)/t19-/m1/s1.
What are the key properties of 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide?
2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 99740798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).