4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide

C16H24N2O3 — CID 82784754

IUPAC4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide
SMILESCCNC(=O)C1CC(c2cccc(OC)c2OC)CCN1
InChIInChI=1S/C16H24N2O3/c1-4-17-16(19)13-10-11(8-9-18-13)12-6-5-7-14(20-2)15(12)21-3/h5-7,11,13,18H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyICYUSZUCBUYNCV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.68
Rot. Bonds5

About 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide

4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide (PubChem CID 82784754) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide
PubChem CID82784754
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide
SMILESCCNC(=O)C1CC(c2cccc(OC)c2OC)CCN1
InChIInChI=1S/C16H24N2O3/c1-4-17-16(19)13-10-11(8-9-18-13)12-6-5-7-14(20-2)15(12)21-3/h5-7,11,13,18H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyICYUSZUCBUYNCV-UHFFFAOYSA-N
XLogP1.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide (CID 82784754) is 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide is CCNC(=O)C1CC(c2cccc(OC)c2OC)CCN1.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide?
The InChIKey is ICYUSZUCBUYNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-16(19)13-10-11(8-9-18-13)12-6-5-7-14(20-2)15(12)21-3/h5-7,11,13,18H,4,8-10H2,1-3H3,(H,17,19).
What are the key properties of 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide?
4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-N-ethylpiperidine-2-carboxamide is sourced from PubChem (CID 82784754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).