4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide

C14H21N3O — CID 106935045

IUPAC4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N(C)c2ccncc2)C1
InChIInChI=1S/C14H21N3O/c1-3-11-4-9-16-13(10-11)14(18)17(2)12-5-7-15-8-6-12/h5-8,11,13,16H,3-4,9-10H2,1-2H3
InChIKeySRVNPECEQUVQES-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.82
Rot. Bonds3

About 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide

4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide (PubChem CID 106935045) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide
PubChem CID106935045
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide
SMILESCCC1CCNC(C(=O)N(C)c2ccncc2)C1
InChIInChI=1S/C14H21N3O/c1-3-11-4-9-16-13(10-11)14(18)17(2)12-5-7-15-8-6-12/h5-8,11,13,16H,3-4,9-10H2,1-2H3
InChIKeySRVNPECEQUVQES-UHFFFAOYSA-N
XLogP1.82
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide (CID 106935045) is 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide is CCC1CCNC(C(=O)N(C)c2ccncc2)C1.
What is the InChIKey of 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide?
The InChIKey is SRVNPECEQUVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11-4-9-16-13(10-11)14(18)17(2)12-5-7-15-8-6-12/h5-8,11,13,16H,3-4,9-10H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide?
4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-pyridin-4-ylpiperidine-2-carboxamide is sourced from PubChem (CID 106935045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).