1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide

C26H30N2O3S — CID 43043393

IUPAC1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
SMILESCC(C)Cc1ccc(C(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c2cccs2)cc1
InChIInChI=1S/C26H30N2O3S/c1-18(2)16-19-9-11-20(12-10-19)24(23-8-5-15-32-23)27-25(29)21-6-3-13-28(17-21)26(30)22-7-4-14-31-22/h4-5,7-12,14-15,18,21,24H,3,6,13,16-17H2,1-2H3,(H,27,29)
InChIKeyZUAWPCNZDJSLTB-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.30
Rot. Bonds7

About 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide

1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide (PubChem CID 43043393) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
PubChem CID43043393
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
SMILESCC(C)Cc1ccc(C(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c2cccs2)cc1
InChIInChI=1S/C26H30N2O3S/c1-18(2)16-19-9-11-20(12-10-19)24(23-8-5-15-32-23)27-25(29)21-6-3-13-28(17-21)26(30)22-7-4-14-31-22/h4-5,7-12,14-15,18,21,24H,3,6,13,16-17H2,1-2H3,(H,27,29)
InChIKeyZUAWPCNZDJSLTB-UHFFFAOYSA-N
XLogP5.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 32613901
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
1-(2,2-dimethylpropanoyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 55454351
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621933
(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621939
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 32614549
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
(3S)-3-N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51646299
(3R)-1-(furan-2-carbonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51930797
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide (CID 43043393) is 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide is CC(C)Cc1ccc(C(NC(=O)C2CCCN(C(=O)c3ccco3)C2)c2cccs2)cc1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide?
The InChIKey is ZUAWPCNZDJSLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-18(2)16-19-9-11-20(12-10-19)24(23-8-5-15-32-23)27-25(29)21-6-3-13-28(17-21)26(30)22-7-4-14-31-22/h4-5,7-12,14-15,18,21,24H,3,6,13,16-17H2,1-2H3,(H,27,29).
What are the key properties of 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide?
1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43043393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).