[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone

C21H26N2O2S — CID 165424336

IUPAC[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)C3CCOCC3)CC2)cs1
InChIInChI=1S/C21H26N2O2S/c1-16-22-19(15-26-16)21(18-5-3-2-4-6-18)9-11-23(12-10-21)20(24)17-7-13-25-14-8-17/h2-6,15,17H,7-14H2,1H3
InChIKeyQEAYSSNWQGOUMK-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.79
Rot. Bonds3

About [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone

[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 165424336) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID165424336
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)C3CCOCC3)CC2)cs1
InChIInChI=1S/C21H26N2O2S/c1-16-22-19(15-26-16)21(18-5-3-2-4-6-18)9-11-23(12-10-21)20(24)17-7-13-25-14-8-17/h2-6,15,17H,7-14H2,1H3
InChIKeyQEAYSSNWQGOUMK-UHFFFAOYSA-N
XLogP3.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011
(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
1-(2-methoxyethyl)-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]piperidin-2-one
CID 165422259
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
CID 165420028
[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]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
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
CID 164692403
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone (CID 165424336) is [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone is Cc1nc(C2(c3ccccc3)CCN(C(=O)C3CCOCC3)CC2)cs1.
What is the InChIKey of [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is QEAYSSNWQGOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16-22-19(15-26-16)21(18-5-3-2-4-6-18)9-11-23(12-10-21)20(24)17-7-13-25-14-8-17/h2-6,15,17H,7-14H2,1H3.
What are the key properties of [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone?
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 370.52 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 165424336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).