(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide

C17H20N2O3S — CID 32613901

IUPAC(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(15-7-4-10-23-15)18-16(20)13-5-2-8-19(11-13)17(21)14-6-3-9-22-14/h3-4,6-7,9-10,12-13H,2,5,8,11H2,1H3,(H,18,20)/t12-,13-/m1/s1
InChIKeySXBNDKMIQZVJOD-CHWSQXEVSA-N
MW332.42 g/mol
LogP3.07
Rot. Bonds4

About (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide

(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide (PubChem CID 32613901) has the molecular formula C17H20N2O3S and a molecular weight of 332.42 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
PubChem CID32613901
Molecular FormulaC17H20N2O3S
Molecular Weight332.42 g/mol
Exact Mass332.12
IUPAC Name(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccs1
InChIInChI=1S/C17H20N2O3S/c1-12(15-7-4-10-23-15)18-16(20)13-5-2-8-19(11-13)17(21)14-6-3-9-22-14/h3-4,6-7,9-10,12-13H,2,5,8,11H2,1H3,(H,18,20)/t12-,13-/m1/s1
InChIKeySXBNDKMIQZVJOD-CHWSQXEVSA-N
XLogP3.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-N-[[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethyl]piperidine-3-carboxamide
CID 43043393
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 32625420
(3S)-1-(4-chlorobenzoyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 31109673
(3S)-1-(furan-2-carbonyl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621939
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
CID 32621933
(3R)-1-(furan-2-carbonyl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]piperidine-3-carboxamide
CID 32614549
(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
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
N-[1-(4-bromophenyl)propyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46448493
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide (CID 32613901) is (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cccs1.
What is the InChIKey of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is SXBNDKMIQZVJOD-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-12(15-7-4-10-23-15)18-16(20)13-5-2-8-19(11-13)17(21)14-6-3-9-22-14/h3-4,6-7,9-10,12-13H,2,5,8,11H2,1H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide?
(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 332.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 32613901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).