[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone

C13H20N2OS — CID 114960623

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C(CN)C2)s1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-15(8-11(9)7-14)13(16)12-4-3-10(2)17-12/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyMGJPJOKWCDAAHI-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.11
Rot. Bonds2

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 114960623) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID114960623
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)C(CN)C2)s1
InChIInChI=1S/C13H20N2OS/c1-9-5-6-15(8-11(9)7-14)13(16)12-4-3-10(2)17-12/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyMGJPJOKWCDAAHI-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
(4-methyl-3-propan-2-ylpiperidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 67965088
1-(5-methylthiophene-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918252
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-tert-butylphenyl)methanone
CID 114960434
[3-(methylamino)pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 119413764
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 114960337
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
N-cyclopropyl-5-methyl-N-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 97071473

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 114960623) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(C)C(CN)C2)s1.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is MGJPJOKWCDAAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-5-6-15(8-11(9)7-14)13(16)12-4-3-10(2)17-12/h3-4,9,11H,5-8,14H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 252.38 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 114960623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).