N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide

C21H22N4OS — CID 46053664

IUPACN-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3cccs3)CC2)nc1)c1ccccc1
InChIInChI=1S/C21H22N4OS/c26-21(17-5-2-1-3-6-17)23-18-8-9-20(22-15-18)25-12-10-24(11-13-25)16-19-7-4-14-27-19/h1-9,14-15H,10-13,16H2,(H,23,26)
InChIKeyLLENGERGRHNIDY-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.72
Rot. Bonds5

About N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide

N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46053664) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46053664
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC NameN-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(Cc3cccs3)CC2)nc1)c1ccccc1
InChIInChI=1S/C21H22N4OS/c26-21(17-5-2-1-3-6-17)23-18-8-9-20(22-15-18)25-12-10-24(11-13-25)16-19-7-4-14-27-19/h1-9,14-15H,10-13,16H2,(H,23,26)
InChIKeyLLENGERGRHNIDY-UHFFFAOYSA-N
XLogP3.72
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46053664) is N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(N2CCN(Cc3cccs3)CC2)nc1)c1ccccc1.
What is the InChIKey of N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is LLENGERGRHNIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c26-21(17-5-2-1-3-6-17)23-18-8-9-20(22-15-18)25-12-10-24(11-13-25)16-19-7-4-14-27-19/h1-9,14-15H,10-13,16H2,(H,23,26).
What are the key properties of N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide?
N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 378.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46053664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).