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

C17H26N2OS — CID 61335545

IUPACcyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCCc1ccc(C(C)NC2CCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C17H26N2OS/c1-3-15-6-7-16(21-15)12(2)18-14-8-10-19(11-9-14)17(20)13-4-5-13/h6-7,12-14,18H,3-5,8-11H2,1-2H3
InChIKeyIPFRDTHPRUEMJL-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.36
Rot. Bonds5

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

cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone (PubChem CID 61335545) has the molecular formula C17H26N2OS and a molecular weight of 306.48 g/mol. Its IUPAC name is cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
PubChem CID61335545
Molecular FormulaC17H26N2OS
Molecular Weight306.48 g/mol
Exact Mass306.18
IUPAC Namecyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
SMILESCCc1ccc(C(C)NC2CCN(C(=O)C3CC3)CC2)s1
InChIInChI=1S/C17H26N2OS/c1-3-15-6-7-16(21-15)12(2)18-14-8-10-19(11-9-14)17(20)13-4-5-13/h6-7,12-14,18H,3-5,8-11H2,1-2H3
InChIKeyIPFRDTHPRUEMJL-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882
N-[1-(5-ethylthiophen-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 54979176
N-cyclopropyl-2-[1-(5-ethylthiophen-2-yl)ethylamino]acetamide
CID 61333566
[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43747865
cyclopropyl-[4-[1-(3-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 63992476
N-[1-(5-ethylthiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 104694894
3-[1-(5-ethylthiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 61333174
cyclopropyl-[4-(pentan-3-ylamino)piperidin-1-yl]methanone
CID 43747893
4-[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]piperidine-1-carboxamide
CID 112700484
(1R)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 55277214
cyclopropyl-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]methanone
CID 43747885
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyloxolan-3-amine
CID 82725149

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone (CID 61335545) is cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone is CCc1ccc(C(C)NC2CCN(C(=O)C3CC3)CC2)s1.
What is the InChIKey of cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
The InChIKey is IPFRDTHPRUEMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS/c1-3-15-6-7-16(21-15)12(2)18-14-8-10-19(11-9-14)17(20)13-4-5-13/h6-7,12-14,18H,3-5,8-11H2,1-2H3.
What are the key properties of cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone?
cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone has a molecular weight of 306.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[1-(5-ethylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone is sourced from PubChem (CID 61335545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).