2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one

C20H20N4O3S — CID 136881541

IUPAC2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)cc(=O)[nH]3)C2)ccn1
InChIInChI=1S/C20H20N4O3S/c1-27-18-10-13(6-7-21-18)20(26)24-8-2-4-14(12-24)19-22-15(11-17(25)23-19)16-5-3-9-28-16/h3,5-7,9-11,14H,2,4,8,12H2,1H3,(H,22,23,25)
InChIKeySNPOYMVYTPMYGE-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.92
Rot. Bonds4

About 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one

2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 136881541) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID136881541
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCOc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)cc(=O)[nH]3)C2)ccn1
InChIInChI=1S/C20H20N4O3S/c1-27-18-10-13(6-7-21-18)20(26)24-8-2-4-14(12-24)19-22-15(11-17(25)23-19)16-5-3-9-28-16/h3,5-7,9-11,14H,2,4,8,12H2,1H3,(H,22,23,25)
InChIKeySNPOYMVYTPMYGE-UHFFFAOYSA-N
XLogP2.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136881533
2-[(3S)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136681799
2-[(3S)-1-(4-methylpyrimidine-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735485
2-[(3S)-1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136850282
2-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136735500
2-[(3R)-1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136891411
2-[1-(4-pyridin-4-ylbutanoyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136881534
tert-butyl 3-(6-oxo-4-thiophen-2-yl-1H-pyrimidin-2-yl)piperidine-1-carboxylate;2-piperidin-3-yl-4-thiophen-2-yl-1H-pyrimidin-6-one;propane;hydrochloride
CID 160815155
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one (CID 136881541) is 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one is COc1cc(C(=O)N2CCCC(c3nc(-c4cccs4)cc(=O)[nH]3)C2)ccn1.
What is the InChIKey of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is SNPOYMVYTPMYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-27-18-10-13(6-7-21-18)20(26)24-8-2-4-14(12-24)19-22-15(11-17(25)23-19)16-5-3-9-28-16/h3,5-7,9-11,14H,2,4,8,12H2,1H3,(H,22,23,25).
What are the key properties of 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one?
2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 396.47 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyridine-4-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).