(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

C15H22ClF3N4O — CID 120918557

IUPAC(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(N1CCCC(C(F)(F)F)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H21F3N4O.ClH/c16-15(17,18)12-3-1-9-21(11-12)13(23)14(4-7-19-8-5-14)22-10-2-6-20-22;/h2,6,10,12,19H,1,3-5,7-9,11H2;1H
InChIKeyWVCSTUINKQQHQJ-UHFFFAOYSA-N
MW366.82 g/mol
LogP2.18
Rot. Bonds2

About (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride

(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 120918557) has the molecular formula C15H22ClF3N4O and a molecular weight of 366.82 g/mol. Its IUPAC name is (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID120918557
Molecular FormulaC15H22ClF3N4O
Molecular Weight366.82 g/mol
Exact Mass366.14
IUPAC Name(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCl.O=C(N1CCCC(C(F)(F)F)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H21F3N4O.ClH/c16-15(17,18)12-3-1-9-21(11-12)13(23)14(4-7-19-8-5-14)22-10-2-6-20-22;/h2,6,10,12,19H,1,3-5,7-9,11H2;1H
InChIKeyWVCSTUINKQQHQJ-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]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-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 120918558
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
N-methyl-1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidine-3-carboxamide
CID 120932432
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
[3-(diethylamino)pyrrolidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938728
N-[1-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperidin-3-yl]butanamide;hydrochloride
CID 120929389
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
[4-(cyclohexylmethyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120938714
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride (CID 120918557) is (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is Cl.O=C(N1CCCC(C(F)(F)F)C1)C1(n2cccn2)CCNCC1.
What is the InChIKey of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WVCSTUINKQQHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O.ClH/c16-15(17,18)12-3-1-9-21(11-12)13(23)14(4-7-19-8-5-14)22-10-2-6-20-22;/h2,6,10,12,19H,1,3-5,7-9,11H2;1H.
What are the key properties of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride?
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 366.82 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120918557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).