3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide

C12H24N2O2 — CID 82724450

IUPAC3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
SMILESCCC1(C(=O)NOC(C)(C)C)CCCNC1
InChIInChI=1S/C12H24N2O2/c1-5-12(7-6-8-13-9-12)10(15)14-16-11(2,3)4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyXDQLFFFTNYTBJM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.61
Rot. Bonds3

About 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide

3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide (PubChem CID 82724450) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
PubChem CID82724450
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
SMILESCCC1(C(=O)NOC(C)(C)C)CCCNC1
InChIInChI=1S/C12H24N2O2/c1-5-12(7-6-8-13-9-12)10(15)14-16-11(2,3)4/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyXDQLFFFTNYTBJM-UHFFFAOYSA-N
XLogP1.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxamide
CID 82724462
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
N-cyano-3-ethylpiperidine-3-carboxamide
CID 79194202
3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
CID 103287680
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
2-[[(3-ethylpiperidine-3-carbonyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475549
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
1-[(3-ethylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63131743
3-ethyl-N-[2-(methylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63130528
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide (CID 82724450) is 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide is CCC1(C(=O)NOC(C)(C)C)CCCNC1.
What is the InChIKey of 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide?
The InChIKey is XDQLFFFTNYTBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-12(7-6-8-13-9-12)10(15)14-16-11(2,3)4/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide?
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide is sourced from PubChem (CID 82724450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).