(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide

C12H24N2O2 — CID 103809901

IUPAC(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
SMILESCCOCCN(CC)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H24N2O2/c1-3-14(9-10-16-4-2)12(15)11-7-5-6-8-13-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyUJUPCMCDRPOSGO-NSHDSACASA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide

(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide (PubChem CID 103809901) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
PubChem CID103809901
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
SMILESCCOCCN(CC)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C12H24N2O2/c1-3-14(9-10-16-4-2)12(15)11-7-5-6-8-13-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyUJUPCMCDRPOSGO-NSHDSACASA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
(2R)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 93371950
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
CID 64570352
N-butyl-N-(2-methoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119322175
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 54872870
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
CID 102992833
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide (CID 103809901) is (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide is CCOCCN(CC)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide?
The InChIKey is UJUPCMCDRPOSGO-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14(9-10-16-4-2)12(15)11-7-5-6-8-13-11/h11,13H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide?
(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 103809901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).