(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

C16H23NOS — CID 42435504

IUPAC(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCC1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C16H23NOS/c1-13-6-10-17(11-7-13)15(18)16(8-2-3-9-16)14-5-4-12-19-14/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyZILOOWLNTDOFOT-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.82
Rot. Bonds2

About (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone

(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (PubChem CID 42435504) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
PubChem CID42435504
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC Name(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
SMILESCC1CCN(C(=O)C2(c3cccs3)CCCC2)CC1
InChIInChI=1S/C16H23NOS/c1-13-6-10-17(11-7-13)15(18)16(8-2-3-9-16)14-5-4-12-19-14/h4-5,12-13H,2-3,6-11H2,1H3
InChIKeyZILOOWLNTDOFOT-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
(4-phenylpiperazin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42390617
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
CID 119380014
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500
[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 97354893
morpholin-4-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944617

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone (CID 42435504) is (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is CC1CCN(C(=O)C2(c3cccs3)CCCC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
The InChIKey is ZILOOWLNTDOFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-13-6-10-17(11-7-13)15(18)16(8-2-3-9-16)14-5-4-12-19-14/h4-5,12-13H,2-3,6-11H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone?
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone has a molecular weight of 277.43 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone is sourced from PubChem (CID 42435504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).