(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide

C13H24N2O2 — CID 120623026

IUPAC(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C1CCCO1
InChIInChI=1S/C13H24N2O2/c1-9-8-11(5-6-14-9)13(16)15-10(2)12-4-3-7-17-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9-,10?,11-,12?/m0/s1
InChIKeyPGVAFCZRJSZOON-VOBJUBJWSA-N
MW240.35 g/mol
LogP1.06
Rot. Bonds3

About (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 120623026) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID120623026
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C1CCCO1
InChIInChI=1S/C13H24N2O2/c1-9-8-11(5-6-14-9)13(16)15-10(2)12-4-3-7-17-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9-,10?,11-,12?/m0/s1
InChIKeyPGVAFCZRJSZOON-VOBJUBJWSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
2-methyl-N-[1-(oxolan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79389054
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
N-[(1S)-1-cyclohexylethyl]-2-methylpiperidine-4-carboxamide
CID 106740421
N-[1-(oxolan-2-yl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292164
N-[1-(oxolan-2-yl)ethyl]azepane-2-carboxamide
CID 64563784
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
9-amino-N-[1-(oxolan-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985199
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
CID 82905786
(1S,2S,3R,4R)-3-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11895759
(1S,2S,3R,4R)-3-[[(1R)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11895760
1-methylsulfonyl-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-4-carboxamide
CID 35250271

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide (CID 120623026) is (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)C1CCCO1.
What is the InChIKey of (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is PGVAFCZRJSZOON-VOBJUBJWSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-8-11(5-6-14-9)13(16)15-10(2)12-4-3-7-17-12/h9-12,14H,3-8H2,1-2H3,(H,15,16)/t9-,10?,11-,12?/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[1-(oxolan-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 120623026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).