2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

C20H30N2O — CID 4072352

IUPAC2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCCCC2CC)c1
InChIInChI=1S/C20H30N2O/c1-6-18-12-7-8-13-22(18)19(23)21-20(4,5)17-11-9-10-16(14-17)15(2)3/h9-11,14,18H,2,6-8,12-13H2,1,3-5H3,(H,21,23)
InChIKeyQIQKTLDIGVEROS-UHFFFAOYSA-N
MW314.47 g/mol
LogP4.93
Rot. Bonds4

About 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide

2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 4072352) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID4072352
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCCCC2CC)c1
InChIInChI=1S/C20H30N2O/c1-6-18-12-7-8-13-22(18)19(23)21-20(4,5)17-11-9-10-16(14-17)15(2)3/h9-11,14,18H,2,6-8,12-13H2,1,3-5H3,(H,21,23)
InChIKeyQIQKTLDIGVEROS-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide (CID 4072352) is 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCCC2CC)c1.
What is the InChIKey of 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is QIQKTLDIGVEROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-6-18-12-7-8-13-22(18)19(23)21-20(4,5)17-11-9-10-16(14-17)15(2)3/h9-11,14,18H,2,6-8,12-13H2,1,3-5H3,(H,21,23).
What are the key properties of 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide?
2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 4072352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).