N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C25H26N2O3S — CID 43009560

IUPACN-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1
InChIInChI=1S/C25H26N2O3S/c28-24(11-10-20-6-2-1-3-7-20)26-14-12-21(13-15-26)25(29)27(18-22-8-4-16-30-22)19-23-9-5-17-31-23/h1-11,16-17,21H,12-15,18-19H2/b11-10+
InChIKeyNZYQKYBLUNJVJG-ZHACJKMWSA-N
MW434.56 g/mol
LogP4.82
Rot. Bonds7

About N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 43009560) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID43009560
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1
InChIInChI=1S/C25H26N2O3S/c28-24(11-10-20-6-2-1-3-7-20)26-14-12-21(13-15-26)25(29)27(18-22-8-4-16-30-22)19-23-9-5-17-31-23/h1-11,16-17,21H,12-15,18-19H2/b11-10+
InChIKeyNZYQKYBLUNJVJG-ZHACJKMWSA-N
XLogP4.82
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(oxolan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55391334
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
(E)-1-[4-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 86913295
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60938376
(E)-3-phenyl-1-(4-thiophen-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 71786847
N,N-bis(cyanomethyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 47090845
(3R)-1-benzyl-N-(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 8010743
(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51933773
N-[1-(furan-2-yl)propan-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55614736
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55436253
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 24581332

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 43009560) is N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccco2)Cc2cccs2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NZYQKYBLUNJVJG-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-24(11-10-20-6-2-1-3-7-20)26-14-12-21(13-15-26)25(29)27(18-22-8-4-16-30-22)19-23-9-5-17-31-23/h1-11,16-17,21H,12-15,18-19H2/b11-10+.
What are the key properties of N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 43009560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).