1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide

C13H22N4O — CID 119073659

IUPAC1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C(=O)NCCc2ncc[nH]2)C1
InChIInChI=1S/C13H22N4O/c1-2-17-9-3-4-11(10-17)13(18)16-6-5-12-14-7-8-15-12/h7-8,11H,2-6,9-10H2,1H3,(H,14,15)(H,16,18)
InChIKeyIDQOAIDYGUWSCQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.80
Rot. Bonds5

About 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide

1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 119073659) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
PubChem CID119073659
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C(=O)NCCc2ncc[nH]2)C1
InChIInChI=1S/C13H22N4O/c1-2-17-9-3-4-11(10-17)13(18)16-6-5-12-14-7-8-15-12/h7-8,11H,2-6,9-10H2,1H3,(H,14,15)(H,16,18)
InChIKeyIDQOAIDYGUWSCQ-UHFFFAOYSA-N
XLogP0.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 118772758
1-(cyclopropanecarbonyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 115620012
4-butyl-N-[2-(1H-imidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 115649554
N-[2-(1H-imidazol-2-yl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 115668365
(3S)-1-ethyl-N-[3-(2H-tetrazol-5-yl)propyl]piperidine-3-carboxamide
CID 126442269
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyloxolane-2-carboxamide
CID 115735316
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 96568857
2-(3-hydroxypiperidin-1-yl)-N-[3-(1H-imidazol-2-yl)propyl]acetamide
CID 91777804
N-[2-(1H-imidazol-2-yl)ethyl]oxane-2-carboxamide
CID 115747744
N-[2-(1H-imidazol-2-yl)ethyl]-1-(4-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 126774946
1-ethyl-N-hydroxypiperidine-3-carboxamide
CID 57080127
ethane;N-[2-(1H-imidazol-2-yl)ethyl]propanamide
CID 143717261

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide (CID 119073659) is 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide is CCN1CCCC(C(=O)NCCc2ncc[nH]2)C1.
What is the InChIKey of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is IDQOAIDYGUWSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17-9-3-4-11(10-17)13(18)16-6-5-12-14-7-8-15-12/h7-8,11H,2-6,9-10H2,1H3,(H,14,15)(H,16,18).
What are the key properties of 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide?
1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119073659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).