(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide

C9H18N2O2 — CID 122236611

IUPAC(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide
SMILESCCNC(=O)N1C[C@@H](O)CC[C@@H]1C
InChIInChI=1S/C9H18N2O2/c1-3-10-9(13)11-6-8(12)5-4-7(11)2/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m0/s1
InChIKeyPZMUOTXRFBHXMI-YUMQZZPRSA-N
MW186.25 g/mol
LogP0.56
Rot. Bonds1

About (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide

(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide (PubChem CID 122236611) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide
PubChem CID122236611
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide
SMILESCCNC(=O)N1C[C@@H](O)CC[C@@H]1C
InChIInChI=1S/C9H18N2O2/c1-3-10-9(13)11-6-8(12)5-4-7(11)2/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m0/s1
InChIKeyPZMUOTXRFBHXMI-YUMQZZPRSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide?
The IUPAC name of (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide (CID 122236611) is (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide?
The canonical SMILES for (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide is CCNC(=O)N1C[C@@H](O)CC[C@@H]1C.
What is the InChIKey of (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide?
The InChIKey is PZMUOTXRFBHXMI-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-3-10-9(13)11-6-8(12)5-4-7(11)2/h7-8,12H,3-6H2,1-2H3,(H,10,13)/t7-,8-/m0/s1.
What are the key properties of (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide?
(2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-ethyl-5-hydroxy-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 122236611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).