[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride

C20H31ClN4O2S — CID 120809778

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CCCN(C(=O)N3CCc4sccc4C3)C2)C1.Cl
InChIInChI=1S/C20H30N4O2S.ClH/c1-20(13-21)6-9-24(14-20)18(25)16-3-2-7-22(12-16)19(26)23-8-4-17-15(11-23)5-10-27-17;/h5,10,16H,2-4,6-9,11-14,21H2,1H3;1H
InChIKeySVAPXOQZJFCWFB-UHFFFAOYSA-N
MW427.01 g/mol
LogP2.56
Rot. Bonds2

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride (PubChem CID 120809778) has the molecular formula C20H31ClN4O2S and a molecular weight of 427.01 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride
PubChem CID120809778
Molecular FormulaC20H31ClN4O2S
Molecular Weight427.01 g/mol
Exact Mass426.19
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)C2CCCN(C(=O)N3CCc4sccc4C3)C2)C1.Cl
InChIInChI=1S/C20H30N4O2S.ClH/c1-20(13-21)6-9-24(14-20)18(25)16-3-2-7-22(12-16)19(26)23-8-4-17-15(11-23)5-10-27-17;/h5,10,16H,2-4,6-9,11-14,21H2,1H3;1H
InChIKeySVAPXOQZJFCWFB-UHFFFAOYSA-N
XLogP2.56
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.01
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 120809609
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-cyclopentylmethanone
CID 120806071
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-phenylcyclohexyl)methanone;hydrochloride
CID 120805422
N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 49351109
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120806642
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one;hydrochloride
CID 120808570
4-(azepane-1-carbonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidine-1-carboxamide
CID 86882077
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride (CID 120809778) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride is CC1(CN)CCN(C(=O)C2CCCN(C(=O)N3CCc4sccc4C3)C2)C1.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The InChIKey is SVAPXOQZJFCWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S.ClH/c1-20(13-21)6-9-24(14-20)18(25)16-3-2-7-22(12-16)19(26)23-8-4-17-15(11-23)5-10-27-17;/h5,10,16H,2-4,6-9,11-14,21H2,1H3;1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride has a molecular weight of 427.01 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 120809778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).