(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide

C14H28N2O2 — CID 97027498

IUPAC(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C14H28N2O2/c1-3-5-7-12(4-2)10-15-14(18)16-9-6-8-13(17)11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyZULMMZQXBITRFL-CHWSQXEVSA-N
MW256.39 g/mol
LogP2.37
Rot. Bonds6

About (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide

(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 97027498) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID97027498
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
SMILESCCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](O)C1
InChIInChI=1S/C14H28N2O2/c1-3-5-7-12(4-2)10-15-14(18)16-9-6-8-13(17)11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1
InChIKeyZULMMZQXBITRFL-CHWSQXEVSA-N
XLogP2.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)-3-hydroxypiperidine-1-carboxamide
CID 71943752
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
N-[(2R)-2-ethylhexyl]pyrrolidine-1-carboxamide
CID 95571619
1-(2-ethylhexylcarbamoyl)piperidine-4-carboxylic acid
CID 107817441
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-carboxamide
CID 106115923
(3R)-N-[(2S)-3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypiperidine-1-carboxamide
CID 95967582
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
CID 75885262
(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
CID 97025731
(3R)-3-hydroxy-N-[(2R)-2-(3-methylphenoxy)butyl]piperidine-1-carboxamide
CID 97025727
3-hydroxy-N-[3-(2-methylpropoxy)propyl]piperidine-1-carboxamide
CID 110882664

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide (CID 97027498) is (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide is CCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is ZULMMZQXBITRFL-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-5-7-12(4-2)10-15-14(18)16-9-6-8-13(17)11-16/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide?
(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 97027498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).