[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride

C16H26Cl2N4O2 — CID 155938836

IUPAC[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCc1cnccc1N1CCN(C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-11-10-18-3-2-14(11)19-4-6-20(7-5-19)16(22)12-8-13(17)15(21)9-12;;/h2-3,10,12-13,15,21H,4-9,17H2,1H3;2*1H/t12-,13+,15+;;/m0../s1
InChIKeyMISKAXMDHRXXAD-NEGDTNHASA-N
MW377.32 g/mol
LogP0.98
Rot. Bonds2

About [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride

[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride (PubChem CID 155938836) has the molecular formula C16H26Cl2N4O2 and a molecular weight of 377.32 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
PubChem CID155938836
Molecular FormulaC16H26Cl2N4O2
Molecular Weight377.32 g/mol
Exact Mass376.14
IUPAC Name[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
SMILESCc1cnccc1N1CCN(C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)CC1.Cl.Cl
InChIInChI=1S/C16H24N4O2.2ClH/c1-11-10-18-3-2-14(11)19-4-6-20(7-5-19)16(22)12-8-13(17)15(21)9-12;;/h2-3,10,12-13,15,21H,4-9,17H2,1H3;2*1H/t12-,13+,15+;;/m0../s1
InChIKeyMISKAXMDHRXXAD-NEGDTNHASA-N
XLogP0.98
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

4-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 131902488
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
(1-isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705830
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-methylsulfanylethanone
CID 70756431
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155938932
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone;dihydrochloride
CID 154896567
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 155510142
2-(4-chlorophenyl)-1-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]ethanone
CID 91768908
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 91767375
[1-(3-amino-4-pyridinyl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 90205765

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride (CID 155938836) is [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride is Cc1cnccc1N1CCN(C(=O)[C@H]2C[C@@H](N)[C@H](O)C2)CC1.Cl.Cl.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
The InChIKey is MISKAXMDHRXXAD-NEGDTNHASA-N. The full InChI is InChI=1S/C16H24N4O2.2ClH/c1-11-10-18-3-2-14(11)19-4-6-20(7-5-19)16(22)12-8-13(17)15(21)9-12;;/h2-3,10,12-13,15,21H,4-9,17H2,1H3;2*1H/t12-,13+,15+;;/m0../s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride?
[(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 377.32 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-hydroxycyclopentyl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 155938836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).