(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone

C16H24N2OS — CID 119380014

IUPAC(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
SMILESNC1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1
InChIInChI=1S/C16H24N2OS/c17-13-6-4-10-18(12-13)15(19)16(8-2-1-3-9-16)14-7-5-11-20-14/h5,7,11,13H,1-4,6,8-10,12,17H2
InChIKeyICBNHSGISLXWBH-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.90
Rot. Bonds2

About (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone

(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone (PubChem CID 119380014) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
PubChem CID119380014
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone
SMILESNC1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1
InChIInChI=1S/C16H24N2OS/c17-13-6-4-10-18(12-13)15(19)16(8-2-1-3-9-16)14-7-5-11-20-14/h5,7,11,13H,1-4,6,8-10,12,17H2
InChIKeyICBNHSGISLXWBH-UHFFFAOYSA-N
XLogP2.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119595244
(3-phenylazepan-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 121130907
azepan-1-yl-(1-thiophen-2-ylcyclopropyl)methanone
CID 30944629
1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxamide
CID 42435653
(4-methylpiperidin-1-yl)-(1-thiophen-2-ylcyclopentyl)methanone
CID 42435504
[4-(1-aminoethyl)piperidin-1-yl]-(1-thiophen-2-ylcyclohexyl)methanone;hydrochloride
CID 119519335
[(3R)-3-(benzenesulfonyl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 97354893
(3-aminopiperidin-1-yl)-[1-(2-methylphenyl)cyclohexyl]methanone;hydrochloride
CID 119378259
piperazin-1-yl-(1-thiophen-2-ylcyclohexyl)methanone
CID 119402420
ethyl 1-(1-thiophen-2-ylcyclopentanecarbonyl)piperidine-4-carboxylate
CID 42435336
[(3R)-3-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 100719123
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(1-thiophen-2-ylcyclopentyl)methanone
CID 121069482

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone (CID 119380014) is (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone is NC1CCCN(C(=O)C2(c3cccs3)CCCCC2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
The InChIKey is ICBNHSGISLXWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c17-13-6-4-10-18(12-13)15(19)16(8-2-1-3-9-16)14-7-5-11-20-14/h5,7,11,13H,1-4,6,8-10,12,17H2.
What are the key properties of (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone?
(3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone has a molecular weight of 292.45 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-thiophen-2-ylcyclohexyl)methanone is sourced from PubChem (CID 119380014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).