(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C21H22N2O4S — CID 51933773

IUPAC(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(c1ccoc1)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1
InChIInChI=1S/C21H22N2O4S/c24-20(16-4-1-8-22(12-16)21(25)17-7-10-26-15-17)23(13-18-5-2-9-27-18)14-19-6-3-11-28-19/h2-3,5-7,9-11,15-16H,1,4,8,12-14H2/t16-/m0/s1
InChIKeyORXWNZYFDMJXKP-INIZCTEOSA-N
MW398.48 g/mol
LogP4.02
Rot. Bonds6

About (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 51933773) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID51933773
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(c1ccoc1)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1
InChIInChI=1S/C21H22N2O4S/c24-20(16-4-1-8-22(12-16)21(25)17-7-10-26-15-17)23(13-18-5-2-9-27-18)14-19-6-3-11-28-19/h2-3,5-7,9-11,15-16H,1,4,8,12-14H2/t16-/m0/s1
InChIKeyORXWNZYFDMJXKP-INIZCTEOSA-N
XLogP4.02
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-anilino-2-oxoethyl)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 51933799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(furan-3-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46568124
N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024928
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 60938375
1-(furan-3-carbonyl)-N,N-dimethylpiperidine-3-carboxamide
CID 42891354
N,1-bis(furan-2-ylmethyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78781697
N-(furan-2-ylmethyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 43009560
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-2-carboxamide
CID 60938376
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
N-ethyl-1-(furan-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43054894
1-(furan-3-carbonyl)-N-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43056974

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 51933773) is (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(c1ccoc1)N1CCC[C@H](C(=O)N(Cc2ccco2)Cc2cccs2)C1.
What is the InChIKey of (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is ORXWNZYFDMJXKP-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O4S/c24-20(16-4-1-8-22(12-16)21(25)17-7-10-26-15-17)23(13-18-5-2-9-27-18)14-19-6-3-11-28-19/h2-3,5-7,9-11,15-16H,1,4,8,12-14H2/t16-/m0/s1.
What are the key properties of (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
(3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 51933773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).