[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

C19H22N2OS — CID 56823628

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1csc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)n1
InChIInChI=1S/C19H22N2OS/c1-14-13-23-17(20-14)15-7-11-21(12-8-15)18(22)19(9-10-19)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3
InChIKeyPCTOMDJYDKKGGN-UHFFFAOYSA-N
MW326.47 g/mol
LogP3.89
Rot. Bonds3

About [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone

[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 56823628) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID56823628
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1csc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)n1
InChIInChI=1S/C19H22N2OS/c1-14-13-23-17(20-14)15-7-11-21(12-8-15)18(22)19(9-10-19)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3
InChIKeyPCTOMDJYDKKGGN-UHFFFAOYSA-N
XLogP3.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclobutanecarboxamide
CID 71842156
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 51148858
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110025197
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
5-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 119183904
[4-(1-hydroxyethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 103677890
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
2-[[[2-[3-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]-2-oxoacetyl]amino]methyl]benzoic acid
CID 166251962
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 56823628) is [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is Cc1csc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is PCTOMDJYDKKGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-14-13-23-17(20-14)15-7-11-21(12-8-15)18(22)19(9-10-19)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 326.47 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 56823628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).