N-cyano-3-ethylpiperidine-3-carboxamide

C9H15N3O — CID 79194202

IUPACN-cyano-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NC#N)CCCNC1
InChIInChI=1S/C9H15N3O/c1-2-9(8(13)12-7-10)4-3-5-11-6-9/h11H,2-6H2,1H3,(H,12,13)
InChIKeyMFCKGSPIHLCQQD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.36
Rot. Bonds2

About N-cyano-3-ethylpiperidine-3-carboxamide

N-cyano-3-ethylpiperidine-3-carboxamide (PubChem CID 79194202) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-cyano-3-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyano-3-ethylpiperidine-3-carboxamide
PubChem CID79194202
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-cyano-3-ethylpiperidine-3-carboxamide
SMILESCCC1(C(=O)NC#N)CCCNC1
InChIInChI=1S/C9H15N3O/c1-2-9(8(13)12-7-10)4-3-5-11-6-9/h11H,2-6H2,1H3,(H,12,13)
InChIKeyMFCKGSPIHLCQQD-UHFFFAOYSA-N
XLogP0.36
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-methylsulfonylpiperidine-3-carboxamide
CID 103287680
N-(2-acetamidoethyl)-3-ethylpiperidine-3-carboxamide
CID 63130017
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-[(2-methylpropan-2-yl)oxy]piperidine-3-carboxamide
CID 82724450
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
N-(3-amino-3-oxopropyl)-3-ethylpiperidine-3-carboxamide
CID 63130061
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
3-ethyl-N-morpholin-4-ylpiperidine-3-carboxamide
CID 83015753
3-ethyl-N-(2-methylsulfonylethyl)piperidine-3-carboxamide
CID 63131031
3-ethyl-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 106255498

Frequently Asked Questions

What is the IUPAC name of N-cyano-3-ethylpiperidine-3-carboxamide?
The IUPAC name of N-cyano-3-ethylpiperidine-3-carboxamide (CID 79194202) is N-cyano-3-ethylpiperidine-3-carboxamide.
What is the SMILES notation for N-cyano-3-ethylpiperidine-3-carboxamide?
The canonical SMILES for N-cyano-3-ethylpiperidine-3-carboxamide is CCC1(C(=O)NC#N)CCCNC1.
What is the InChIKey of N-cyano-3-ethylpiperidine-3-carboxamide?
The InChIKey is MFCKGSPIHLCQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-9(8(13)12-7-10)4-3-5-11-6-9/h11H,2-6H2,1H3,(H,12,13).
What are the key properties of N-cyano-3-ethylpiperidine-3-carboxamide?
N-cyano-3-ethylpiperidine-3-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 79194202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).