(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C21H26N2O2S — CID 118784308

IUPAC(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)C3(c4cccs4)CC3(C)C)CC2)nc1
InChIInChI=1S/C21H26N2O2S/c1-15-6-7-16(22-13-15)20(25)8-10-23(11-9-20)18(24)21(14-19(21,2)3)17-5-4-12-26-17/h4-7,12-13,25H,8-11,14H2,1-3H3
InChIKeySZQJQPDCLJALFL-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.63
Rot. Bonds3

About (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 118784308) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID118784308
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2(O)CCN(C(=O)C3(c4cccs4)CC3(C)C)CC2)nc1
InChIInChI=1S/C21H26N2O2S/c1-15-6-7-16(22-13-15)20(25)8-10-23(11-9-20)18(24)21(14-19(21,2)3)17-5-4-12-26-17/h4-7,12-13,25H,8-11,14H2,1-3H3
InChIKeySZQJQPDCLJALFL-UHFFFAOYSA-N
XLogP3.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethyl-4H-1,2-oxazol-5-yl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56747628
2-amino-1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanone
CID 56747551
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 56740554
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 121498872
1-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 56748421
(4-amino-2-pyridinyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 56752037
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56742882
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1H-imidazol-2-yl)methanone
CID 56747203
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1,3,7-trimethylindol-2-yl)methanone
CID 56758093
4-hydroxy-N-[(5-methylfuran-2-yl)methyl]-4-(5-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 119069922
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 157014393
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 118787840

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 118784308) is (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1ccc(C2(O)CCN(C(=O)C3(c4cccs4)CC3(C)C)CC2)nc1.
What is the InChIKey of (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is SZQJQPDCLJALFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-6-7-16(22-13-15)20(25)8-10-23(11-9-20)18(24)21(14-19(21,2)3)17-5-4-12-26-17/h4-7,12-13,25H,8-11,14H2,1-3H3.
What are the key properties of (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
(2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 370.52 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1-thiophen-2-ylcyclopropyl)-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118784308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).