N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

C26H32N2O2 — CID 175263076

IUPACN-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCCC1(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)C=CC=CC1
InChIInChI=1S/C26H32N2O2/c1-2-26(16-7-4-8-17-26)28(25(29)24-12-9-21-30-24)23-14-19-27(20-15-23)18-13-22-10-5-3-6-11-22/h3-12,16,21,23H,2,13-15,17-20H2,1H3
InChIKeyKKGLSLDDDFYYME-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.09
Rot. Bonds7

About N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide

N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 175263076) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID175263076
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
SMILESCCC1(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)C=CC=CC1
InChIInChI=1S/C26H32N2O2/c1-2-26(16-7-4-8-17-26)28(25(29)24-12-9-21-30-24)23-14-19-27(20-15-23)18-13-22-10-5-3-6-11-22/h3-12,16,21,23H,2,13-15,17-20H2,1H3
InChIKeyKKGLSLDDDFYYME-UHFFFAOYSA-N
XLogP5.09
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide (CID 175263076) is N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is CCC1(N(C(=O)c2ccco2)C2CCN(CCc3ccccc3)CC2)C=CC=CC1.
What is the InChIKey of N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is KKGLSLDDDFYYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-2-26(16-7-4-8-17-26)28(25(29)24-12-9-21-30-24)23-14-19-27(20-15-23)18-13-22-10-5-3-6-11-22/h3-12,16,21,23H,2,13-15,17-20H2,1H3.
What are the key properties of N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide?
N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclohexa-2,4-dien-1-yl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 175263076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).