1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

C14H19Cl2N3O2 — CID 118730656

IUPAC1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O2/c1-21-7-4-18-14(20)10-2-5-19(6-3-10)13-11(15)8-17-9-12(13)16/h8-10H,2-7H2,1H3,(H,18,20)
InChIKeyNYJVWOMMDKEJPA-UHFFFAOYSA-N
MW332.23 g/mol
LogP2.37
Rot. Bonds5

About 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide

1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 118730656) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID118730656
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O2/c1-21-7-4-18-14(20)10-2-5-19(6-3-10)13-11(15)8-17-9-12(13)16/h8-10H,2-7H2,1H3,(H,18,20)
InChIKeyNYJVWOMMDKEJPA-UHFFFAOYSA-N
XLogP2.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 118730656) is 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is NYJVWOMMDKEJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-21-7-4-18-14(20)10-2-5-19(6-3-10)13-11(15)8-17-9-12(13)16/h8-10H,2-7H2,1H3,(H,18,20).
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 332.23 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 118730656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).