N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

C22H25N5O2 — CID 100643134

IUPACN-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN2CCC[C@@H](c3ncn[nH]3)C2)cc1
InChIInChI=1S/C22H25N5O2/c1-16-8-10-18(11-9-16)29-20-7-3-2-6-19(20)25-21(28)14-27-12-4-5-17(13-27)22-23-15-24-26-22/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H,25,28)(H,23,24,26)/t17-/m1/s1
InChIKeyPFIIMFPIUQBACM-QGZVFWFLSA-N
MW391.48 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide

N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 100643134) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
PubChem CID100643134
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CN2CCC[C@@H](c3ncn[nH]3)C2)cc1
InChIInChI=1S/C22H25N5O2/c1-16-8-10-18(11-9-16)29-20-7-3-2-6-19(20)25-21(28)14-27-12-4-5-17(13-27)22-23-15-24-26-22/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H,25,28)(H,23,24,26)/t17-/m1/s1
InChIKeyPFIIMFPIUQBACM-QGZVFWFLSA-N
XLogP3.72
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide with MolForge

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Related Compounds

N-(3-phenoxyphenyl)-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 124861052
2-[(3R)-3-methylpiperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 8903480
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
2-(2-methylmorpholin-4-yl)-N-(2-phenoxyphenyl)acetamide
CID 46677615
N-[2-(4-methylphenoxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119680419
2-(4-fluorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 24681386

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide (CID 100643134) is N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is Cc1ccc(Oc2ccccc2NC(=O)CN2CCC[C@@H](c3ncn[nH]3)C2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is PFIIMFPIUQBACM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-8-10-18(11-9-16)29-20-7-3-2-6-19(20)25-21(28)14-27-12-4-5-17(13-27)22-23-15-24-26-22/h2-3,6-11,15,17H,4-5,12-14H2,1H3,(H,25,28)(H,23,24,26)/t17-/m1/s1.
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide?
N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-2-[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 100643134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).