(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide

C13H24N2O2 — CID 124845733

IUPAC(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCCN1C[C@H]1CO1
InChIInChI=1S/C13H24N2O2/c1-3-14(4-2)13(16)12-7-5-6-8-15(12)9-11-10-17-11/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeySESQQHGOEZIHFX-NWDGAFQWSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds5

About (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide

(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide (PubChem CID 124845733) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide
PubChem CID124845733
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCCN1C[C@H]1CO1
InChIInChI=1S/C13H24N2O2/c1-3-14(4-2)13(16)12-7-5-6-8-15(12)9-11-10-17-11/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeySESQQHGOEZIHFX-NWDGAFQWSA-N
XLogP1.11
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-[[(2S)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
CID 124554731
[(2S)-1-[[(2R)-oxiran-2-yl]methyl]piperidin-2-yl]-piperidin-1-ylmethanone
CID 97181530
(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 67200162
N,N-diethyl-1-formylpiperidine-2-carboxamide
CID 87627372
N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 21365849
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
morpholin-4-yl-[(2S)-1-[[(2R)-oxiran-2-yl]methyl]pyrrolidin-2-yl]methanone
CID 97181537
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]-ethylamino]acetic acid
CID 124683732
1-(2-aminoacetyl)-N,N-diethylpyrrolidine-2-carboxamide;hydrochloride
CID 119305869

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide (CID 124845733) is (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide is CCN(CC)C(=O)[C@H]1CCCCN1C[C@H]1CO1.
What is the InChIKey of (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide?
The InChIKey is SESQQHGOEZIHFX-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-14(4-2)13(16)12-7-5-6-8-15(12)9-11-10-17-11/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide?
(2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-diethyl-1-[[(2S)-oxiran-2-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 124845733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).