[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone

C12H18N2O2S — CID 81122977

IUPAC[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H18N2O2S/c1-16-10-4-7-17-11(10)12(15)14-5-2-9(8-13)3-6-14/h4,7,9H,2-3,5-6,8,13H2,1H3
InChIKeyDGGYYUTXAYJSIE-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.57
Rot. Bonds3

About [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone

[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone (PubChem CID 81122977) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
PubChem CID81122977
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)N1CCC(CN)CC1
InChIInChI=1S/C12H18N2O2S/c1-16-10-4-7-17-11(10)12(15)14-5-2-9(8-13)3-6-14/h4,7,9H,2-3,5-6,8,13H2,1H3
InChIKeyDGGYYUTXAYJSIE-UHFFFAOYSA-N
XLogP1.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-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

[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
1-(3-methoxythiophene-2-carbonyl)piperidine-4-carbonitrile
CID 78945788
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119631702
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
2-[4-(3-methoxythiophene-2-carbonyl)piperazin-1-yl]ethanethioamide
CID 81122141
[3-(2-bromoethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129209
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 124596288
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119597034
[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119547026
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone (CID 81122977) is [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)N1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
The InChIKey is DGGYYUTXAYJSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-16-10-4-7-17-11(10)12(15)14-5-2-9(8-13)3-6-14/h4,7,9H,2-3,5-6,8,13H2,1H3.
What are the key properties of [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone?
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone has a molecular weight of 254.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81122977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).