1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride

C14H21ClN2O2S — CID 119542983

IUPAC1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(C(C)=O)cs2)CC1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-10(17)12-7-13(19-9-12)14(18)16-5-3-11(4-6-16)8-15-2;/h7,9,11,15H,3-6,8H2,1-2H3;1H
InChIKeyDYWIMTQOCNQSQI-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.44
Rot. Bonds4

About 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride

1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride (PubChem CID 119542983) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
PubChem CID119542983
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride
SMILESCNCC1CCN(C(=O)c2cc(C(C)=O)cs2)CC1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-10(17)12-7-13(19-9-12)14(18)16-5-3-11(4-6-16)8-15-2;/h7,9,11,15H,3-6,8H2,1-2H3;1H
InChIKeyDYWIMTQOCNQSQI-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538654
(5-iodothiophen-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539259
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
[3-(methylaminomethyl)pyrrolidin-1-yl]-(5-nitrothiophen-3-yl)methanone;hydrochloride
CID 119541104
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
[4-fluoro-3-(trifluoromethyl)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546114
(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545985

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride (CID 119542983) is 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride is CNCC1CCN(C(=O)c2cc(C(C)=O)cs2)CC1.Cl.
What is the InChIKey of 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
The InChIKey is DYWIMTQOCNQSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-10(17)12-7-13(19-9-12)14(18)16-5-3-11(4-6-16)8-15-2;/h7,9,11,15H,3-6,8H2,1-2H3;1H.
What are the key properties of 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride?
1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 119542983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).