1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one

C16H21N3OS — CID 56813780

IUPAC1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1ccc(CN2CCN(Cc3cccs3)CC2)cc1=O
InChIInChI=1S/C16H21N3OS/c1-17-5-4-14(11-16(17)20)12-18-6-8-19(9-7-18)13-15-3-2-10-21-15/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyAQBBRDDHYWBVRS-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.76
Rot. Bonds4

About 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one

1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 56813780) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID56813780
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1ccc(CN2CCN(Cc3cccs3)CC2)cc1=O
InChIInChI=1S/C16H21N3OS/c1-17-5-4-14(11-16(17)20)12-18-6-8-19(9-7-18)13-15-3-2-10-21-15/h2-5,10-11H,6-9,12-13H2,1H3
InChIKeyAQBBRDDHYWBVRS-UHFFFAOYSA-N
XLogP1.76
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
1-(thiophen-2-ylmethyl)piperidin-4-one
CID 18001837
1-(1,3-benzodioxol-5-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine
CID 2838574
4-[(3-methylphenyl)methyl]-1-(thiophen-2-ylmethyl)-1,4-diazepan-5-one
CID 29150928
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399
4-(thiophen-2-ylmethyl)piperazine-1-carbaldehyde
CID 60679812
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 43397030
1-[1-methyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]pyrrol-3-yl]ethanone
CID 86911417
4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide
CID 34709804
4-[[4-[2-(dimethylamino)ethyl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461791
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one (CID 56813780) is 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one is Cn1ccc(CN2CCN(Cc3cccs3)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is AQBBRDDHYWBVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-17-5-4-14(11-16(17)20)12-18-6-8-19(9-7-18)13-15-3-2-10-21-15/h2-5,10-11H,6-9,12-13H2,1H3.
What are the key properties of 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 303.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 56813780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).