1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide

C13H18ClN3O — CID 71977836

IUPAC1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-2-16-13(18)10-4-3-7-17(9-10)12-5-6-15-8-11(12)14/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyFREXMYORCGESLV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.09
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide

1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide (PubChem CID 71977836) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
PubChem CID71977836
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(c2ccncc2Cl)C1
InChIInChI=1S/C13H18ClN3O/c1-2-16-13(18)10-4-3-7-17(9-10)12-5-6-15-8-11(12)14/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,18)
InChIKeyFREXMYORCGESLV-UHFFFAOYSA-N
XLogP2.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide (CID 71977836) is 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)C1CCCN(c2ccncc2Cl)C1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is FREXMYORCGESLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-2-16-13(18)10-4-3-7-17(9-10)12-5-6-15-8-11(12)14/h5-6,8,10H,2-4,7,9H2,1H3,(H,16,18).
What are the key properties of 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide?
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 71977836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).