1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide

C12H15Cl2N3O — CID 45274904

IUPAC1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O/c1-15-12(18)8-2-4-17(5-3-8)11-9(13)6-16-7-10(11)14/h6-8H,2-5H2,1H3,(H,15,18)
InChIKeyYUWRFMKBLJHPRL-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.35
Rot. Bonds2

About 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide

1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide (PubChem CID 45274904) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
PubChem CID45274904
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C12H15Cl2N3O/c1-15-12(18)8-2-4-17(5-3-8)11-9(13)6-16-7-10(11)14/h6-8H,2-5H2,1H3,(H,15,18)
InChIKeyYUWRFMKBLJHPRL-UHFFFAOYSA-N
XLogP2.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide (CID 45274904) is 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is YUWRFMKBLJHPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c1-15-12(18)8-2-4-17(5-3-8)11-9(13)6-16-7-10(11)14/h6-8H,2-5H2,1H3,(H,15,18).
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide?
1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 288.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 45274904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).