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

C14H22N2OS — CID 80552627

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCNCC1CCN(C(=O)c2sccc2C)CC1
InChIInChI=1S/C14H22N2OS/c1-3-15-10-12-4-7-16(8-5-12)14(17)13-11(2)6-9-18-13/h6,9,12,15H,3-5,7-8,10H2,1-2H3
InChIKeyQVYPRBPWVYRRMA-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.52
Rot. Bonds4

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

[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 80552627) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID80552627
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCCNCC1CCN(C(=O)c2sccc2C)CC1
InChIInChI=1S/C14H22N2OS/c1-3-15-10-12-4-7-16(8-5-12)14(17)13-11(2)6-9-18-13/h6,9,12,15H,3-5,7-8,10H2,1-2H3
InChIKeyQVYPRBPWVYRRMA-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 78980342
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 80550728
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
1-(3-methylthiophene-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 91954030
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-ethylthiophen-2-yl)methanone;hydrochloride
CID 119625339
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 80552627) is [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone is CCNCC1CCN(C(=O)c2sccc2C)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is QVYPRBPWVYRRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-3-15-10-12-4-7-16(8-5-12)14(17)13-11(2)6-9-18-13/h6,9,12,15H,3-5,7-8,10H2,1-2H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 266.41 g/mol, XLogP of 2.52, 4 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]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 80552627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).