[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone

C16H26N2OS — CID 119467751

IUPAC[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CCCCC2CN)cc1CC
InChIInChI=1S/C16H26N2OS/c1-3-7-14-12(4-2)10-15(20-14)16(19)18-9-6-5-8-13(18)11-17/h10,13H,3-9,11,17H2,1-2H3
InChIKeySLHAPLRISLGNIU-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.22
Rot. Bonds5

About [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone (PubChem CID 119467751) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
PubChem CID119467751
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CCCCC2CN)cc1CC
InChIInChI=1S/C16H26N2OS/c1-3-7-14-12(4-2)10-15(20-14)16(19)18-9-6-5-8-13(18)11-17/h10,13H,3-9,11,17H2,1-2H3
InChIKeySLHAPLRISLGNIU-UHFFFAOYSA-N
XLogP3.22
TPSA46.33 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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
1-(4-ethyl-5-propylthiophene-2-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134045870
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79372038
[2-(aminomethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 65209829
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
(4-ethyl-5-propylthiophen-2-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877318
2-[1-(4-ethyl-5-methylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 61009393
[2-(aminomethyl)piperidin-1-yl]-[2-(dimethylamino)thieno[2,3-d][1,3]thiazol-5-yl]methanone;dihydrochloride
CID 119467833
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
CID 120814485
(3S)-4-(4-ethyl-5-propylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513410
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
[2-(aminomethyl)piperidin-1-yl]-(2,5-dichlorothiophen-3-yl)methanone;hydrochloride
CID 119467676

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone (CID 119467751) is [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone is CCCc1sc(C(=O)N2CCCCC2CN)cc1CC.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone?
The InChIKey is SLHAPLRISLGNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-3-7-14-12(4-2)10-15(20-14)16(19)18-9-6-5-8-13(18)11-17/h10,13H,3-9,11,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone has a molecular weight of 294.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(4-ethyl-5-propylthiophen-2-yl)methanone is sourced from PubChem (CID 119467751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).