3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide

C21H25N3O3 — CID 75413856

IUPAC3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-5-7-17(12-15)27-14-20(25)23-18-13-16(21(22)26)8-9-19(18)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyAWCFFCPSOXWKTJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.10
Rot. Bonds6

About 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide

3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide (PubChem CID 75413856) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
PubChem CID75413856
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
SMILESCc1cccc(OCC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-5-7-17(12-15)27-14-20(25)23-18-13-16(21(22)26)8-9-19(18)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H2,22,26)(H,23,25)
InChIKeyAWCFFCPSOXWKTJ-UHFFFAOYSA-N
XLogP3.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269421
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 24675926
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
3-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55528932
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 7551877
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-fluoro-2-piperidin-1-ylphenyl)-2-phenoxyacetamide
CID 113092602
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 91675368
3-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 46700238
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
2-(3-methylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932419

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide (CID 75413856) is 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide is Cc1cccc(OCC(=O)Nc2cc(C(N)=O)ccc2N2CCCCC2)c1.
What is the InChIKey of 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
The InChIKey is AWCFFCPSOXWKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-5-7-17(12-15)27-14-20(25)23-18-13-16(21(22)26)8-9-19(18)24-10-3-2-4-11-24/h5-9,12-13H,2-4,10-11,14H2,1H3,(H2,22,26)(H,23,25).
What are the key properties of 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide?
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide has a molecular weight of 367.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 75413856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).