1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride

C14H23Cl2N3O2 — CID 87543017

IUPAC1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCON(C)C(=O)C1CCN(c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C14H21N3O2.2ClH/c1-16(19-2)14(18)11-7-9-17(10-8-11)13-5-3-12(15)4-6-13;;/h3-6,11H,7-10,15H2,1-2H3;2*1H
InChIKeyVZXXTQDSZLRHFA-UHFFFAOYSA-N
MW336.26 g/mol
LogP2.35
Rot. Bonds3

About 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride

1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 87543017) has the molecular formula C14H23Cl2N3O2 and a molecular weight of 336.26 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID87543017
Molecular FormulaC14H23Cl2N3O2
Molecular Weight336.26 g/mol
Exact Mass335.12
IUPAC Name1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCON(C)C(=O)C1CCN(c2ccc(N)cc2)CC1.Cl.Cl
InChIInChI=1S/C14H21N3O2.2ClH/c1-16(19-2)14(18)11-7-9-17(10-8-11)13-5-3-12(15)4-6-13;;/h3-6,11H,7-10,15H2,1-2H3;2*1H
InChIKeyVZXXTQDSZLRHFA-UHFFFAOYSA-N
XLogP2.35
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride (CID 87543017) is 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride is CON(C)C(=O)C1CCN(c2ccc(N)cc2)CC1.Cl.Cl.
What is the InChIKey of 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is VZXXTQDSZLRHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.2ClH/c1-16(19-2)14(18)11-7-9-17(10-8-11)13-5-3-12(15)4-6-13;;/h3-6,11H,7-10,15H2,1-2H3;2*1H.
What are the key properties of 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride?
1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 336.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-methoxy-N-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 87543017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).