cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone

C16H24N2OS — CID 63992476

IUPACcyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCc1ccsc1C(C)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H24N2OS/c1-11-7-10-20-15(11)12(2)17-14-5-8-18(9-6-14)16(19)13-3-4-13/h7,10,12-14,17H,3-6,8-9H2,1-2H3
InChIKeyRWJKJEMIVSXHKN-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.11
Rot. Bonds4

About cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone (PubChem CID 63992476) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
PubChem CID63992476
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Namecyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCc1ccsc1C(C)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H24N2OS/c1-11-7-10-20-15(11)12(2)17-14-5-8-18(9-6-14)16(19)13-3-4-13/h7,10,12-14,17H,3-6,8-9H2,1-2H3
InChIKeyRWJKJEMIVSXHKN-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone (CID 63992476) is cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone is Cc1ccsc1C(C)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The InChIKey is RWJKJEMIVSXHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-7-10-20-15(11)12(2)17-14-5-8-18(9-6-14)16(19)13-3-4-13/h7,10,12-14,17H,3-6,8-9H2,1-2H3.
What are the key properties of cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone has a molecular weight of 292.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 63992476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).