2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

C20H26N4O3S — CID 136881661

IUPAC2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCC(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)C1
InChIInChI=1S/C20H26N4O3S/c1-27-15-4-2-3-14(11-15)20(26)24-8-5-13(6-9-24)18-22-16(12-17(25)23-18)19-21-7-10-28-19/h7,10,12-15H,2-6,8-9,11H2,1H3,(H,22,23,25)
InChIKeyYPIGPVNHSOXMSG-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.80
Rot. Bonds4

About 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one

2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (PubChem CID 136881661) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
PubChem CID136881661
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCC(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)C1
InChIInChI=1S/C20H26N4O3S/c1-27-15-4-2-3-14(11-15)20(26)24-8-5-13(6-9-24)18-22-16(12-17(25)23-18)19-21-7-10-28-19/h7,10,12-15H,2-6,8-9,11H2,1H3,(H,22,23,25)
InChIKeyYPIGPVNHSOXMSG-UHFFFAOYSA-N
XLogP2.80
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136881665
2-[(3S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673800
2-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136850226
2-[1-[3-[(2R)-oxolan-2-yl]propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136682517
2-[1-[(2R)-2-(3,4-dimethylphenoxy)propanoyl]piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136860947
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681608
(3-methoxycyclohexyl)-[4-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 132766420
7-(cyclobutanecarbonyl)-2-[(3R)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090461
7-(cyclobutanecarbonyl)-2-[(3S)-1-[(1S,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136899439
4-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136860261
[4-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-[(1S,3S)-3-methoxycyclohexyl]methanone
CID 95849959
2-[(3R)-1-[(1S,2R)-2-methylcyclopropanecarbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 137090413

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one (CID 136881661) is 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is COC1CCCC(C(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[nH]3)CC2)C1.
What is the InChIKey of 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YPIGPVNHSOXMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-27-15-4-2-3-14(11-15)20(26)24-8-5-13(6-9-24)18-22-16(12-17(25)23-18)19-21-7-10-28-19/h7,10,12-15H,2-6,8-9,11H2,1H3,(H,22,23,25).
What are the key properties of 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one?
2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one has a molecular weight of 402.52 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxycyclohexanecarbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136881661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).