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

C19H18N4O2S — CID 135963138

IUPAC2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1
InChIInChI=1S/C19H18N4O2S/c24-17-10-15(14-6-9-26-12-14)21-18(22-17)16-5-1-2-8-23(16)19(25)13-4-3-7-20-11-13/h3-4,6-7,9-12,16H,1-2,5,8H2,(H,21,22,24)/t16-/m1/s1
InChIKeyPHERIMJAOBNUNE-MRXNPFEDSA-N
MW366.45 g/mol
LogP3.26
Rot. Bonds3

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

2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one (PubChem CID 135963138) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
PubChem CID135963138
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
SMILESO=C(c1cccnc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1
InChIInChI=1S/C19H18N4O2S/c24-17-10-15(14-6-9-26-12-14)21-18(22-17)16-5-1-2-8-23(16)19(25)13-4-3-7-20-11-13/h3-4,6-7,9-12,16H,1-2,5,8H2,(H,21,22,24)/t16-/m1/s1
InChIKeyPHERIMJAOBNUNE-MRXNPFEDSA-N
XLogP3.26
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
2-[(2R)-1-(4-methoxybenzoyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963735
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
2-[(2S)-1-(3-phenylpropanoyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963175
2-[1-(2,5-dimethoxybenzoyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136858790
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082
4-thiophen-3-yl-2-[(2R)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-2-yl]-1H-pyrimidin-6-one
CID 135963789
2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963720
[2-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240145
5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
CID 166311536
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one (CID 135963138) is 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one is O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(-c2ccsc2)cc(=O)[nH]1.
What is the InChIKey of 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
The InChIKey is PHERIMJAOBNUNE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-17-10-15(14-6-9-26-12-14)21-18(22-17)16-5-1-2-8-23(16)19(25)13-4-3-7-20-11-13/h3-4,6-7,9-12,16H,1-2,5,8H2,(H,21,22,24)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one?
2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one has a molecular weight of 366.45 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135963138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).