(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride

C17H23ClN4O — CID 120820264

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(-n3cccn3)cc2)CCC1N.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-17(2)12-20(11-8-15(17)18)16(22)13-4-6-14(7-5-13)21-10-3-9-19-21;/h3-7,9-10,15H,8,11-12,18H2,1-2H3;1H
InChIKeyNNGYMTSEMZYLSV-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.49
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride (PubChem CID 120820264) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
PubChem CID120820264
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
SMILESCC1(C)CN(C(=O)c2ccc(-n3cccn3)cc2)CCC1N.Cl
InChIInChI=1S/C17H22N4O.ClH/c1-17(2)12-20(11-8-15(17)18)16(22)13-4-6-14(7-5-13)21-10-3-9-19-21;/h3-7,9-10,15H,8,11-12,18H2,1-2H3;1H
InChIKeyNNGYMTSEMZYLSV-UHFFFAOYSA-N
XLogP2.49
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120814562
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-bromophenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120818431
(3S)-3-methyl-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148601
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-ethylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120819644
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 164698223

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride (CID 120820264) is (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride is CC1(C)CN(C(=O)c2ccc(-n3cccn3)cc2)CCC1N.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
The InChIKey is NNGYMTSEMZYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.ClH/c1-17(2)12-20(11-8-15(17)18)16(22)13-4-6-14(7-5-13)21-10-3-9-19-21;/h3-7,9-10,15H,8,11-12,18H2,1-2H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 120820264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).