(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride

C15H21ClN4OS — CID 120817636

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(-c3cccs3)[nH]n2)CCC1N.Cl
InChIInChI=1S/C15H20N4OS.ClH/c1-15(2)9-19(6-5-13(15)16)14(20)11-8-10(17-18-11)12-4-3-7-21-12;/h3-4,7-8,13H,5-6,9,16H2,1-2H3,(H,17,18);1H
InChIKeyZUCNXTWXNVFGIN-UHFFFAOYSA-N
MW340.88 g/mol
LogP2.76
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride (PubChem CID 120817636) has the molecular formula C15H21ClN4OS and a molecular weight of 340.88 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
PubChem CID120817636
Molecular FormulaC15H21ClN4OS
Molecular Weight340.88 g/mol
Exact Mass340.11
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2cc(-c3cccs3)[nH]n2)CCC1N.Cl
InChIInChI=1S/C15H20N4OS.ClH/c1-15(2)9-19(6-5-13(15)16)14(20)11-8-10(17-18-11)12-4-3-7-21-12;/h3-4,7-8,13H,5-6,9,16H2,1-2H3,(H,17,18);1H
InChIKeyZUCNXTWXNVFGIN-UHFFFAOYSA-N
XLogP2.76
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 119516719
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 70848747
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119661567
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 114267658
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 126854198
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120815578
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 120819742
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159966
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156684
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 90493607

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride (CID 120817636) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride is CC1(C)CN(C(=O)c2cc(-c3cccs3)[nH]n2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
The InChIKey is ZUCNXTWXNVFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.ClH/c1-15(2)9-19(6-5-13(15)16)14(20)11-8-10(17-18-11)12-4-3-7-21-12;/h3-4,7-8,13H,5-6,9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride is sourced from PubChem (CID 120817636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).