1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C21H22N4O2S — CID 165419363

IUPAC1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)Cn3cccnc3=O)CC2)cs1
InChIInChI=1S/C21H22N4O2S/c1-16-23-18(15-28-16)21(17-6-3-2-4-7-17)8-12-24(13-9-21)19(26)14-25-11-5-10-22-20(25)27/h2-7,10-11,15H,8-9,12-14H2,1H3
InChIKeyCLOIVKJZKNONTF-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.62
Rot. Bonds4

About 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 165419363) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID165419363
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)Cn3cccnc3=O)CC2)cs1
InChIInChI=1S/C21H22N4O2S/c1-16-23-18(15-28-16)21(17-6-3-2-4-7-17)8-12-24(13-9-21)19(26)14-25-11-5-10-22-20(25)27/h2-7,10-11,15H,8-9,12-14H2,1H3
InChIKeyCLOIVKJZKNONTF-UHFFFAOYSA-N
XLogP2.62
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
1-[2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165421711
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
CID 165421639
(2S)-2,6-diamino-1-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]hexan-1-one;dihydrochloride
CID 166600286
1-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165417874
1-[4-[2-(ethylamino)-1,3-thiazol-4-yl]-4-phenylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 165428508

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 165419363) is 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is Cc1nc(C2(c3ccccc3)CCN(C(=O)Cn3cccnc3=O)CC2)cs1.
What is the InChIKey of 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is CLOIVKJZKNONTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-16-23-18(15-28-16)21(17-6-3-2-4-7-17)8-12-24(13-9-21)19(26)14-25-11-5-10-22-20(25)27/h2-7,10-11,15H,8-9,12-14H2,1H3.
What are the key properties of 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 394.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 165419363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).