benzene;1-ethylpiperidine-4-carboxamide

C14H22N2O — CID 91582947

IUPACbenzene;1-ethylpiperidine-4-carboxamide
SMILESCCN1CCC(C(N)=O)CC1.c1ccccc1
InChIInChI=1S/C8H16N2O.C6H6/c1-2-10-5-3-7(4-6-10)8(9)11;1-2-4-6-5-3-1/h7H,2-6H2,1H3,(H2,9,11);1-6H
InChIKeyRALQQYHBMWWBFP-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds2

About benzene;1-ethylpiperidine-4-carboxamide

benzene;1-ethylpiperidine-4-carboxamide (PubChem CID 91582947) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is benzene;1-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Namebenzene;1-ethylpiperidine-4-carboxamide
PubChem CID91582947
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Namebenzene;1-ethylpiperidine-4-carboxamide
SMILESCCN1CCC(C(N)=O)CC1.c1ccccc1
InChIInChI=1S/C8H16N2O.C6H6/c1-2-10-5-3-7(4-6-10)8(9)11;1-2-4-6-5-3-1/h7H,2-6H2,1H3,(H2,9,11);1-6H
InChIKeyRALQQYHBMWWBFP-UHFFFAOYSA-N
XLogP1.89
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;1-ethylpiperidine-4-carboxamide?
The IUPAC name of benzene;1-ethylpiperidine-4-carboxamide (CID 91582947) is benzene;1-ethylpiperidine-4-carboxamide.
What is the SMILES notation for benzene;1-ethylpiperidine-4-carboxamide?
The canonical SMILES for benzene;1-ethylpiperidine-4-carboxamide is CCN1CCC(C(N)=O)CC1.c1ccccc1.
What is the InChIKey of benzene;1-ethylpiperidine-4-carboxamide?
The InChIKey is RALQQYHBMWWBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C6H6/c1-2-10-5-3-7(4-6-10)8(9)11;1-2-4-6-5-3-1/h7H,2-6H2,1H3,(H2,9,11);1-6H.
What are the key properties of benzene;1-ethylpiperidine-4-carboxamide?
benzene;1-ethylpiperidine-4-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 91582947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).