3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride

C14H22Cl2N2OS — CID 119397351

IUPAC3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNCC1CCCN(C(=O)CCc2cc(Cl)cs2)C1.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-16-8-11-3-2-6-17(9-11)14(18)5-4-13-7-12(15)10-19-13;/h7,10-11,16H,2-6,8-9H2,1H3;1H
InChIKeyMFTSZMQNXWABKR-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.21
Rot. Bonds5

About 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride

3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 119397351) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID119397351
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC Name3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCNCC1CCCN(C(=O)CCc2cc(Cl)cs2)C1.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-16-8-11-3-2-6-17(9-11)14(18)5-4-13-7-12(15)10-19-13;/h7,10-11,16H,2-6,8-9H2,1H3;1H
InChIKeyMFTSZMQNXWABKR-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-3-(4-chlorothiophen-2-yl)propan-1-one
CID 119411874
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119396415
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 119395228
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
3-(4-bromothiophen-2-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119493881
4-(3,4-difluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119396922
3-(4-chlorothiophen-2-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589955
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
N-methyl-4-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide;hydrochloride
CID 119398091

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride (CID 119397351) is 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride is CNCC1CCCN(C(=O)CCc2cc(Cl)cs2)C1.Cl.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is MFTSZMQNXWABKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/c1-16-8-11-3-2-6-17(9-11)14(18)5-4-13-7-12(15)10-19-13;/h7,10-11,16H,2-6,8-9H2,1H3;1H.
What are the key properties of 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride?
3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119397351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).