(2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide

C20H30N2O3 — CID 71692824

IUPAC(2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide
SMILESCC1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1
InChIInChI=1S/C20H30N2O3/c1-15-9-12-22(13-10-15)14-11-17-7-8-18(23)19(25-17)20(24)21-16-5-3-2-4-6-16/h2-6,15,17-19,23H,7-14H2,1H3,(H,21,24)/t17-,18-,19-/m0/s1
InChIKeyUQUOKGKLRHZAFD-FHWLQOOXSA-N
MW346.47 g/mol
LogP2.66
Rot. Bonds5

About (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide

(2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide (PubChem CID 71692824) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide
PubChem CID71692824
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide
SMILESCC1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1
InChIInChI=1S/C20H30N2O3/c1-15-9-12-22(13-10-15)14-11-17-7-8-18(23)19(25-17)20(24)21-16-5-3-2-4-6-16/h2-6,15,17-19,23H,7-14H2,1H3,(H,21,24)/t17-,18-,19-/m0/s1
InChIKeyUQUOKGKLRHZAFD-FHWLQOOXSA-N
XLogP2.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide (CID 71692824) is (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide is CC1CCN(CC[C@@H]2CC[C@H](O)[C@@H](C(=O)Nc3ccccc3)O2)CC1.
What is the InChIKey of (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide?
The InChIKey is UQUOKGKLRHZAFD-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-9-12-22(13-10-15)14-11-17-7-8-18(23)19(25-17)20(24)21-16-5-3-2-4-6-16/h2-6,15,17-19,23H,7-14H2,1H3,(H,21,24)/t17-,18-,19-/m0/s1.
What are the key properties of (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide?
(2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-3-hydroxy-6-[2-(4-methylpiperidin-1-yl)ethyl]-N-phenyloxane-2-carboxamide is sourced from PubChem (CID 71692824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).