1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide

C15H21N3O3 — CID 61106759

IUPAC1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H21N3O3/c1-17-15(20)13-4-2-3-9-18(13)14(19)10-21-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10,16H2,1H3,(H,17,20)
InChIKeyPTKVFJPZXQUZPJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.77
Rot. Bonds4

About 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide

1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide (PubChem CID 61106759) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide
PubChem CID61106759
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1C(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H21N3O3/c1-17-15(20)13-4-2-3-9-18(13)14(19)10-21-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10,16H2,1H3,(H,17,20)
InChIKeyPTKVFJPZXQUZPJ-UHFFFAOYSA-N
XLogP0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-aminophenoxy)ethanone
CID 61028305
2-(4-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040561
N-cyclopropyl-1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-2-carboxamide
CID 86924418
(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 79035220
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
1-(2-amino-5-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 61106425
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
1-(5-amino-2-methylbenzoyl)-N-methylpiperidine-2-carboxamide;hydrochloride
CID 120622455

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide (CID 61106759) is 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1C(=O)COc1ccc(N)cc1.
What is the InChIKey of 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is PTKVFJPZXQUZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-15(20)13-4-2-3-9-18(13)14(19)10-21-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10,16H2,1H3,(H,17,20).
What are the key properties of 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide?
1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)acetyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 61106759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).