N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide

C20H23N3O3 — CID 54794430

IUPACN-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C20H23N3O3/c24-19(14-26-18-7-2-1-3-8-18)22-16-5-4-6-17(13-16)23-20(25)15-9-11-21-12-10-15/h1-8,13,15,21H,9-12,14H2,(H,22,24)(H,23,25)
InChIKeyHXKPGGSYJKQWIT-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds6

About N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide

N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide (PubChem CID 54794430) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
PubChem CID54794430
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
SMILESO=C(COc1ccccc1)Nc1cccc(NC(=O)C2CCNCC2)c1
InChIInChI=1S/C20H23N3O3/c24-19(14-26-18-7-2-1-3-8-18)22-16-5-4-6-17(13-16)23-20(25)15-9-11-21-12-10-15/h1-8,13,15,21H,9-12,14H2,(H,22,24)(H,23,25)
InChIKeyHXKPGGSYJKQWIT-UHFFFAOYSA-N
XLogP2.64
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772
N-(3-prop-2-enoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119303115
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide (CID 54794430) is N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide is O=C(COc1ccccc1)Nc1cccc(NC(=O)C2CCNCC2)c1.
What is the InChIKey of N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide?
The InChIKey is HXKPGGSYJKQWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(14-26-18-7-2-1-3-8-18)22-16-5-4-6-17(13-16)23-20(25)15-9-11-21-12-10-15/h1-8,13,15,21H,9-12,14H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide?
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 54794430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).