[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone

C16H26N2OS — CID 119645835

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cc(C)c(CC)s2)CC1
InChIInChI=1S/C16H26N2OS/c1-4-14-12(3)10-15(20-14)16(19)18-8-6-13(7-9-18)11-17-5-2/h10,13,17H,4-9,11H2,1-3H3
InChIKeyNGEMJNYVBRVWLX-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.08
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone (PubChem CID 119645835) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
PubChem CID119645835
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
SMILESCCNCC1CCN(C(=O)c2cc(C)c(CC)s2)CC1
InChIInChI=1S/C16H26N2OS/c1-4-14-12(3)10-15(20-14)16(19)18-8-6-13(7-9-18)11-17-5-2/h10,13,17H,4-9,11H2,1-3H3
InChIKeyNGEMJNYVBRVWLX-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5-dibromothiophen-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552409
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]methanone
CID 119647261
(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900208
2-[1-(5-ethyl-4-methylthiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605779
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 80550728
1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134057870
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627
(5-ethyl-4-methylthiophen-2-yl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615880
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
[4-(ethylaminomethyl)piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119644496
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
[4-(ethylaminomethyl)piperidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 80551583

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone (CID 119645835) is [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone is CCNCC1CCN(C(=O)c2cc(C)c(CC)s2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
The InChIKey is NGEMJNYVBRVWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-4-14-12(3)10-15(20-14)16(19)18-8-6-13(7-9-18)11-17-5-2/h10,13,17H,4-9,11H2,1-3H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone has a molecular weight of 294.46 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 119645835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).