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

C15H21N3O3 — CID 43575397

IUPAC1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)COc2ccccc2N)CC1
InChIInChI=1S/C15H21N3O3/c1-17-15(20)11-6-8-18(9-7-11)14(19)10-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10,16H2,1H3,(H,17,20)
InChIKeyIYBRPPKTNMFHCK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.63
Rot. Bonds4

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

1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide (PubChem CID 43575397) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
PubChem CID43575397
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)COc2ccccc2N)CC1
InChIInChI=1S/C15H21N3O3/c1-17-15(20)11-6-8-18(9-7-11)14(19)10-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10,16H2,1H3,(H,17,20)
InChIKeyIYBRPPKTNMFHCK-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
2-(2-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43133117
2-(2-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63973808
2-(2-aminophenoxy)-1-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64570188
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
N-cyclopropyl-1-[2-(2-methoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 113002547
methyl 1-[4-(2-aminophenoxy)butanoyl]piperidine-4-carboxylate
CID 84551777
2-(2-aminophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114796661
2-(2-aminophenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 61026528
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
2-(2-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16772853
2-(2-aminophenoxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129452501

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide (CID 43575397) is 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)COc2ccccc2N)CC1.
What is the InChIKey of 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is IYBRPPKTNMFHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17-15(20)11-6-8-18(9-7-11)14(19)10-21-13-5-3-2-4-12(13)16/h2-5,11H,6-10,16H2,1H3,(H,17,20).
What are the key properties of 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide?
1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminophenoxy)acetyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 43575397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).