(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide

C16H20N4O2 — CID 167800689

IUPAC(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1cccc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1
InChIInChI=1S/C16H20N4O2/c17-10-12-2-1-3-14(19-12)20-7-4-11(5-8-20)15-13(16(18)21)6-9-22-15/h1-3,11,13,15H,4-9H2,(H2,18,21)/t13-,15+/m0/s1
InChIKeyYBEQSFNDZLDUPF-DZGCQCFKSA-N
MW300.36 g/mol
LogP1.06
Rot. Bonds3

About (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide

(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 167800689) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID167800689
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1cccc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1
InChIInChI=1S/C16H20N4O2/c17-10-12-2-1-3-14(19-12)20-7-4-11(5-8-20)15-13(16(18)21)6-9-22-15/h1-3,11,13,15H,4-9H2,(H2,18,21)/t13-,15+/m0/s1
InChIKeyYBEQSFNDZLDUPF-DZGCQCFKSA-N
XLogP1.06
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide (CID 167800689) is (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide is N#Cc1cccc(N2CCC([C@H]3OCC[C@@H]3C(N)=O)CC2)n1.
What is the InChIKey of (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is YBEQSFNDZLDUPF-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-10-12-2-1-3-14(19-12)20-7-4-11(5-8-20)15-13(16(18)21)6-9-22-15/h1-3,11,13,15H,4-9H2,(H2,18,21)/t13-,15+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(6-cyano-2-pyridinyl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 167800689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).