N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C20H22N4O2S — CID 47024928

IUPACN-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(c2cnccn2)C1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H22N4O2S/c25-20(16-4-1-9-23(13-16)19-12-21-7-8-22-19)24(14-17-5-2-10-26-17)15-18-6-3-11-27-18/h2-3,5-8,10-12,16H,1,4,9,13-15H2
InChIKeyVDYZESMPQIVUNZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.58
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 47024928) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID47024928
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(c2cnccn2)C1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H22N4O2S/c25-20(16-4-1-9-23(13-16)19-12-21-7-8-22-19)24(14-17-5-2-10-26-17)15-18-6-3-11-27-18/h2-3,5-8,10-12,16H,1,4,9,13-15H2
InChIKeyVDYZESMPQIVUNZ-UHFFFAOYSA-N
XLogP3.58
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 47024928) is N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(C1CCCN(c2cnccn2)C1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is VDYZESMPQIVUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-20(16-4-1-9-23(13-16)19-12-21-7-8-22-19)24(14-17-5-2-10-26-17)15-18-6-3-11-27-18/h2-3,5-8,10-12,16H,1,4,9,13-15H2.
What are the key properties of N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 47024928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).