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

C17H20ClN3O2 — CID 128977581

IUPAC(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1cccc(Cl)c1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1
InChIInChI=1S/C17H20ClN3O2/c18-14-3-1-2-12(10-19)15(14)21-7-4-11(5-8-21)16-13(17(20)22)6-9-23-16/h1-3,11,13,16H,4-9H2,(H2,20,22)/t13-,16+/m0/s1
InChIKeyGXPWUQQOZUPBND-XJKSGUPXSA-N
MW333.82 g/mol
LogP2.32
Rot. Bonds3

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

(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide (PubChem CID 128977581) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
PubChem CID128977581
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide
SMILESN#Cc1cccc(Cl)c1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1
InChIInChI=1S/C17H20ClN3O2/c18-14-3-1-2-12(10-19)15(14)21-7-4-11(5-8-21)16-13(17(20)22)6-9-23-16/h1-3,11,13,16H,4-9H2,(H2,20,22)/t13-,16+/m0/s1
InChIKeyGXPWUQQOZUPBND-XJKSGUPXSA-N
XLogP2.32
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide (CID 128977581) is (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide is N#Cc1cccc(Cl)c1N1CCC([C@H]2OCC[C@@H]2C(N)=O)CC1.
What is the InChIKey of (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide?
The InChIKey is GXPWUQQOZUPBND-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-14-3-1-2-12(10-19)15(14)21-7-4-11(5-8-21)16-13(17(20)22)6-9-23-16/h1-3,11,13,16H,4-9H2,(H2,20,22)/t13-,16+/m0/s1.
What are the key properties of (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide?
(2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[1-(2-chloro-6-cyanophenyl)piperidin-4-yl]oxolane-3-carboxamide is sourced from PubChem (CID 128977581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).