3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

C17H26ClN3O2S — CID 120578898

IUPAC3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C17H25N3O2S.ClH/c18-8-7-16(21)19-11-13-5-1-2-9-20(13)17(22)15-10-12-4-3-6-14(12)23-15;/h10,13H,1-9,11,18H2,(H,19,21);1H
InChIKeyKHIYUEYSSZVGES-UHFFFAOYSA-N
MW371.93 g/mol
LogP2.12
Rot. Bonds5

About 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120578898) has the molecular formula C17H26ClN3O2S and a molecular weight of 371.93 g/mol. Its IUPAC name is 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120578898
Molecular FormulaC17H26ClN3O2S
Molecular Weight371.93 g/mol
Exact Mass371.14
IUPAC Name3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C17H25N3O2S.ClH/c18-8-7-16(21)19-11-13-5-1-2-9-20(13)17(22)15-10-12-4-3-6-14(12)23-15;/h10,13H,1-9,11,18H2,(H,19,21);1H
InChIKeyKHIYUEYSSZVGES-UHFFFAOYSA-N
XLogP2.12
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.93
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

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3-amino-N-[[1-(5-methylthiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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CID 120578280
3-amino-N-[[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120578898) is 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is KHIYUEYSSZVGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S.ClH/c18-8-7-16(21)19-11-13-5-1-2-9-20(13)17(22)15-10-12-4-3-6-14(12)23-15;/h10,13H,1-9,11,18H2,(H,19,21);1H.
What are the key properties of 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 371.93 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120578898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).