(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide

C18H27N3O2 — CID 128986871

IUPAC(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1cnccc1CNC(=O)[C@H]1CCO[C@@H]1C1CCN(C)CC1
InChIInChI=1S/C18H27N3O2/c1-13-11-19-7-3-15(13)12-20-18(22)16-6-10-23-17(16)14-4-8-21(2)9-5-14/h3,7,11,14,16-17H,4-6,8-10,12H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyRXHACEJGJBSPOV-DLBZAZTESA-N
MW317.43 g/mol
LogP1.75
Rot. Bonds4

About (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide

(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide (PubChem CID 128986871) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
PubChem CID128986871
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide
SMILESCc1cnccc1CNC(=O)[C@H]1CCO[C@@H]1C1CCN(C)CC1
InChIInChI=1S/C18H27N3O2/c1-13-11-19-7-3-15(13)12-20-18(22)16-6-10-23-17(16)14-4-8-21(2)9-5-14/h3,7,11,14,16-17H,4-6,8-10,12H2,1-2H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyRXHACEJGJBSPOV-DLBZAZTESA-N
XLogP1.75
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.75
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-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
The IUPAC name of (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide (CID 128986871) is (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
The canonical SMILES for (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide is Cc1cnccc1CNC(=O)[C@H]1CCO[C@@H]1C1CCN(C)CC1.
What is the InChIKey of (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
The InChIKey is RXHACEJGJBSPOV-DLBZAZTESA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-11-19-7-3-15(13)12-20-18(22)16-6-10-23-17(16)14-4-8-21(2)9-5-14/h3,7,11,14,16-17H,4-6,8-10,12H2,1-2H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide?
(2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-methylpiperidin-4-yl)-N-[(3-methyl-4-pyridinyl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 128986871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).