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

C13H17Cl2N3O — CID 45274905

IUPAC1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-17(2)13(19)9-3-5-18(6-4-9)12-10(14)7-16-8-11(12)15/h7-9H,3-6H2,1-2H3
InChIKeyMMJPHMNXYUKXQE-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.69
Rot. Bonds2

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

1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 45274905) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID45274905
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C13H17Cl2N3O/c1-17(2)13(19)9-3-5-18(6-4-9)12-10(14)7-16-8-11(12)15/h7-9H,3-6H2,1-2H3
InChIKeyMMJPHMNXYUKXQE-UHFFFAOYSA-N
XLogP2.69
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide (CID 45274905) is 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is MMJPHMNXYUKXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-17(2)13(19)9-3-5-18(6-4-9)12-10(14)7-16-8-11(12)15/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 45274905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).