[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C15H16N4O3S — CID 119065113

IUPAC[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ncc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C15H16N4O3S/c1-22-15-16-9-11(10-17-15)13(20)18-4-6-19(7-5-18)14(21)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
InChIKeyWKZFSHGIOFDBMM-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.14
Rot. Bonds3

About [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 119065113) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID119065113
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ncc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cn1
InChIInChI=1S/C15H16N4O3S/c1-22-15-16-9-11(10-17-15)13(20)18-4-6-19(7-5-18)14(21)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3
InChIKeyWKZFSHGIOFDBMM-UHFFFAOYSA-N
XLogP1.14
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 60788153
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 138022254
[4-(5-methylpyrazol-1-yl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 9476777
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
[4-(5-bromothiophene-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 38004798
(4-bromophenyl)-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108545062
[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133282779

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 119065113) is [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is COc1ncc(C(=O)N2CCN(C(=O)c3cccs3)CC2)cn1.
What is the InChIKey of [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WKZFSHGIOFDBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-22-15-16-9-11(10-17-15)13(20)18-4-6-19(7-5-18)14(21)12-3-2-8-23-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 332.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyrimidine-5-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 119065113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).