N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide

C12H16ClN3O — CID 721653

IUPACN-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccnc1Cl
InChIInChI=1S/C12H16ClN3O/c13-12-10(5-4-6-14-12)15-11(17)9-16-7-2-1-3-8-16/h4-6H,1-3,7-9H2,(H,15,17)
InChIKeyOOOCTOKZMYDBEF-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.16
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide

N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide (PubChem CID 721653) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide
PubChem CID721653
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1cccnc1Cl
InChIInChI=1S/C12H16ClN3O/c13-12-10(5-4-6-14-12)15-11(17)9-16-7-2-1-3-8-16/h4-6H,1-3,7-9H2,(H,15,17)
InChIKeyOOOCTOKZMYDBEF-UHFFFAOYSA-N
XLogP2.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide (CID 721653) is N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide?
The InChIKey is OOOCTOKZMYDBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-12-10(5-4-6-14-12)15-11(17)9-16-7-2-1-3-8-16/h4-6H,1-3,7-9H2,(H,15,17).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide?
N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide has a molecular weight of 253.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 721653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).