[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone

C19H24N2O2S — CID 119466117

IUPAC[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCC3CN)sc2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-17(14-6-8-16(23-2)9-7-14)11-18(24-13)19(22)21-10-4-3-5-15(21)12-20/h6-9,11,15H,3-5,10,12,20H2,1-2H3
InChIKeyKZSHCFOLCBDVSB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.69
Rot. Bonds4

About [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone

[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone (PubChem CID 119466117) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
PubChem CID119466117
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCCC3CN)sc2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-13-17(14-6-8-16(23-2)9-7-14)11-18(24-13)19(22)21-10-4-3-5-15(21)12-20/h6-9,11,15H,3-5,10,12,20H2,1-2H3
InChIKeyKZSHCFOLCBDVSB-UHFFFAOYSA-N
XLogP3.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-[4-(4-fluorophenyl)-5-methylthiophen-2-yl]methanone
CID 124696499
[2-(aminomethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone;hydrochloride
CID 119467051
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 28706941
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-methylthiophene-3-sulfonamide
CID 125420015
1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864219
[2-(aminomethyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone;hydrochloride
CID 119467572
[1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 78869007
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119468773
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119633380
(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78774228
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 119633449
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone;hydrochloride
CID 119633448

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone (CID 119466117) is [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCCC3CN)sc2C)cc1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
The InChIKey is KZSHCFOLCBDVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-13-17(14-6-8-16(23-2)9-7-14)11-18(24-13)19(22)21-10-4-3-5-15(21)12-20/h6-9,11,15H,3-5,10,12,20H2,1-2H3.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone?
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone is sourced from PubChem (CID 119466117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).