N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide

C13H23N3O — CID 63128833

IUPACN-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
SMILESCCN(CCC#N)C(=O)C1(CC)CCNCC1
InChIInChI=1S/C13H23N3O/c1-3-13(6-9-15-10-7-13)12(17)16(4-2)11-5-8-14/h15H,3-7,9-11H2,1-2H3
InChIKeyIMWSAUFBASDHBX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds5

About N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide

N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide (PubChem CID 63128833) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
PubChem CID63128833
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
SMILESCCN(CCC#N)C(=O)C1(CC)CCNCC1
InChIInChI=1S/C13H23N3O/c1-3-13(6-9-15-10-7-13)12(17)16(4-2)11-5-8-14/h15H,3-7,9-11H2,1-2H3
InChIKeyIMWSAUFBASDHBX-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
N-(2-cyanoethyl)-N-ethyl-3-propylpiperidine-3-carboxamide
CID 63131904
N-[3-(diethylamino)propyl]-N,4-diethylpiperidine-4-carboxamide
CID 102993130
N,N-bis(cyanomethyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140597
N-(2-cyanoethyl)-3-ethyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 63131514
N,N-bis(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63127318
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
4-ethyl-N-(2-hydroxyethyl)-N-propylpiperidine-4-carboxamide
CID 63128322
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
CID 63138343
N-(2-ethoxyethyl)-N,3-diethylpyrrolidine-3-carboxamide
CID 63692883
N,N-bis(2-ethoxyethyl)-4-ethylpiperidine-4-carboxamide
CID 82960199

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide (CID 63128833) is N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide is CCN(CCC#N)C(=O)C1(CC)CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide?
The InChIKey is IMWSAUFBASDHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-13(6-9-15-10-7-13)12(17)16(4-2)11-5-8-14/h15H,3-7,9-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide?
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 63128833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).