(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide

C13H26N2O2 — CID 120622256

IUPAC(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
SMILESCCOCCCCNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H26N2O2/c1-3-17-9-5-4-7-15-13(16)12-6-8-14-11(2)10-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyRLRYQFGGRZYOJB-RYUDHWBXSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds7

About (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120622256) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
PubChem CID120622256
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide
SMILESCCOCCCCNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C13H26N2O2/c1-3-17-9-5-4-7-15-13(16)12-6-8-14-11(2)10-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)/t11-,12-/m0/s1
InChIKeyRLRYQFGGRZYOJB-RYUDHWBXSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618698
ethyl 3-[(2-methylpiperidine-4-carbonyl)amino]propanoate
CID 106739889
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120638797
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
CID 119722404
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S,4S)-N-[3-[ethyl(methylsulfonyl)amino]propyl]-2-methylpiperidine-4-carboxamide
CID 120624764
N-(3-hydroxy-4-methoxybutyl)-2-methylpiperidine-4-carboxamide
CID 106832212
(2S,4S)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636684
(2S,4S)-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-4-carboxamide
CID 120635200
2-methyl-N-[2-(4-methylcyclohexyl)ethyl]piperidine-4-carboxamide
CID 106740120

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide (CID 120622256) is (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide is CCOCCCCNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is RLRYQFGGRZYOJB-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-9-5-4-7-15-13(16)12-6-8-14-11(2)10-12/h11-12,14H,3-10H2,1-2H3,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(4-ethoxybutyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120622256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).