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

C20H22N4OS2 — CID 47024935

IUPAC1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(c2cnccn2)C1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H22N4OS2/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
InChIKeyHJZNCXROBLYLSW-UHFFFAOYSA-N
MW398.56 g/mol
LogP4.05
Rot. Bonds6

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

1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 47024935) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID47024935
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC Name1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(c2cnccn2)C1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C20H22N4OS2/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
InChIKeyHJZNCXROBLYLSW-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-pyrazin-2-yl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 47024928
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 43066238
N-[(3-chlorophenyl)methyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597069
N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 75414525
(3S)-N-(2-adamantyl)-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94101331
1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46401961
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46597326
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
(3S)-1-pyrazin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 37027060

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 47024935) is 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(C1CCCN(c2cnccn2)C1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HJZNCXROBLYLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/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 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 398.56 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 47024935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).