cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone

C16H24N2OS — CID 43747882

IUPACcyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCc1ccc(C(C)NC2CCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C16H24N2OS/c1-11-3-6-15(20-11)12(2)17-14-7-9-18(10-8-14)16(19)13-4-5-13/h3,6,12-14,17H,4-5,7-10H2,1-2H3
InChIKeyMEFPVQFVGMMFRK-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.11
Rot. Bonds4

About cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone

cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone (PubChem CID 43747882) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
PubChem CID43747882
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Namecyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCc1ccc(C(C)NC2CCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C16H24N2OS/c1-11-3-6-15(20-11)12(2)17-14-7-9-18(10-8-14)16(19)13-4-5-13/h3,6,12-14,17H,4-5,7-10H2,1-2H3
InChIKeyMEFPVQFVGMMFRK-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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Related Compounds

cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 61335545
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 63992476
1-cyclopropyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 55152081
[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43747865
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
cyclopropyl-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]methanone
CID 43747885
9-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471234
1-(cyclopropanecarbonyl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 47043676
trans-(1S,2S)-2-[1-(5-methylthiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 102733244
2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744116
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone (CID 43747882) is cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone is Cc1ccc(C(C)NC2CCN(C(=O)C3CC3)CC2)s1.
What is the InChIKey of cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The InChIKey is MEFPVQFVGMMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-11-3-6-15(20-11)12(2)17-14-7-9-18(10-8-14)16(19)13-4-5-13/h3,6,12-14,17H,4-5,7-10H2,1-2H3.
What are the key properties of cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[1-(5-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-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 43747882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).