(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

C18H26ClN3O2S — CID 119745380

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)s1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-11-2-5-14(24-11)17(22)20-6-8-21(9-7-20)18(23)15-12-3-4-13(10-12)16(15)19;/h2,5,12-13,15-16H,3-4,6-10,19H2,1H3;1H
InChIKeyFDPGKCHBQKODCH-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.14
Rot. Bonds2

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119745380) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119745380
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)s1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-11-2-5-14(24-11)17(22)20-6-8-21(9-7-20)18(23)15-12-3-4-13(10-12)16(15)19;/h2,5,12-13,15-16H,3-4,6-10,19H2,1H3;1H
InChIKeyFDPGKCHBQKODCH-UHFFFAOYSA-N
XLogP2.14
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-hydroxybenzoyl)piperazin-1-yl]methanone
CID 119730632
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenylpiperazin-1-yl)methanone;dihydrochloride
CID 119826840
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119710348
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119826971
[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119745421
[(3aS,4R,6aR)-4-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-methylthiophen-2-yl)methanone
CID 99777594
[4-(aminomethyl)phenyl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119301454
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119745380) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cc1ccc(C(=O)N2CCN(C(=O)C3C4CCC(C4)C3N)CC2)s1.Cl.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is FDPGKCHBQKODCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-11-2-5-14(24-11)17(22)20-6-8-21(9-7-20)18(23)15-12-3-4-13(10-12)16(15)19;/h2,5,12-13,15-16H,3-4,6-10,19H2,1H3;1H.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119745380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).