[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C16H22ClN3O2 — CID 51091028

IUPAC[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCC2CCCO2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H22ClN3O2/c17-14-9-12(16(21)20-6-2-1-3-7-20)10-18-15(14)19-11-13-5-4-8-22-13/h9-10,13H,1-8,11H2,(H,18,19)
InChIKeyCQWLPBIUBWPRRX-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.95
Rot. Bonds4

About [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 51091028) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID51091028
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc(NCC2CCCO2)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C16H22ClN3O2/c17-14-9-12(16(21)20-6-2-1-3-7-20)10-18-15(14)19-11-13-5-4-8-22-13/h9-10,13H,1-8,11H2,(H,18,19)
InChIKeyCQWLPBIUBWPRRX-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 51091028) is [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cnc(NCC2CCCO2)c(Cl)c1)N1CCCCC1.
What is the InChIKey of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is CQWLPBIUBWPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c17-14-9-12(16(21)20-6-2-1-3-7-20)10-18-15(14)19-11-13-5-4-8-22-13/h9-10,13H,1-8,11H2,(H,18,19).
What are the key properties of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 323.82 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51091028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).