(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride

C19H27ClN4O — CID 120814562

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(N)C(C)(C)C3)cc2)n1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-13-11-14(2)23(21-13)16-7-5-15(6-8-16)18(24)22-10-9-17(20)19(3,4)12-22;/h5-8,11,17H,9-10,12,20H2,1-4H3;1H
InChIKeyURPWMGSFYDOELR-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.11
Rot. Bonds2

About (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride (PubChem CID 120814562) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
PubChem CID120814562
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC(N)C(C)(C)C3)cc2)n1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-13-11-14(2)23(21-13)16-7-5-15(6-8-16)18(24)22-10-9-17(20)19(3,4)12-22;/h5-8,11,17H,9-10,12,20H2,1-4H3;1H
InChIKeyURPWMGSFYDOELR-UHFFFAOYSA-N
XLogP3.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]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-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 120817656
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120804316
1-[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]ethanone
CID 120817657
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 120820264
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)benzamide
CID 120815235
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120814617
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 120820092
(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
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,4-difluorophenyl)methanone;hydrochloride
CID 120814455

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride (CID 120814562) is (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride is Cc1cc(C)n(-c2ccc(C(=O)N3CCC(N)C(C)(C)C3)cc2)n1.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride?
The InChIKey is URPWMGSFYDOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-13-11-14(2)23(21-13)16-7-5-15(6-8-16)18(24)22-10-9-17(20)19(3,4)12-22;/h5-8,11,17H,9-10,12,20H2,1-4H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 3.11, 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-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 120814562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).