(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride

C24H33ClF3N5O2 — CID 141241587

IUPAC(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride
SMILESCC(C)c1cc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)[nH]n1.Cl
InChIInChI=1S/C24H32F3N5O2.ClH/c1-15(2)21-12-22(30-29-21)18-11-17(16-3-5-20(6-4-16)34-24(25,26)27)13-32(14-18)23(33)31-9-7-19(28)8-10-31;/h3-6,12,15,17-19H,7-11,13-14,28H2,1-2H3,(H,29,30);1H
InChIKeyZXCOSPDTPXTKDI-UHFFFAOYSA-N
MW516.01 g/mol
LogP4.97
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 141241587) has the molecular formula C24H33ClF3N5O2 and a molecular weight of 516.01 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID141241587
Molecular FormulaC24H33ClF3N5O2
Molecular Weight516.01 g/mol
Exact Mass515.23
IUPAC Name(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride
SMILESCC(C)c1cc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)[nH]n1.Cl
InChIInChI=1S/C24H32F3N5O2.ClH/c1-15(2)21-12-22(30-29-21)18-11-17(16-3-5-20(6-4-16)34-24(25,26)27)13-32(14-18)23(33)31-9-7-19(28)8-10-31;/h3-6,12,15,17-19H,7-11,13-14,28H2,1-2H3,(H,29,30);1H
InChIKeyZXCOSPDTPXTKDI-UHFFFAOYSA-N
XLogP4.97
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.01
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]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

1-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 141241456
1-[3-(3-tert-butyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 141241388
(4-hydroxypiperidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241331
(3-hydroxypyrrolidin-1-yl)-[3-(5-methyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241354
[3-[3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1H-pyrazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241362
[3-[5-(methoxymethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241481
[3-(4-ethylphenyl)-5-(3-propan-2-yloxy-1H-pyrazol-5-yl)piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141402706
[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 141382635
(3-hydroxyazetidin-1-yl)-[3-[5-(2-methoxyethyl)-1H-pyrazol-3-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 141241403
1-[3-[1-(methoxymethyl)imidazol-4-yl]-5-[4-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 174621638
[3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 141241638
(3-hydroxyazetidin-1-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002213

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride (CID 141241587) is (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride is CC(C)c1cc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCC(N)CC3)C2)[nH]n1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is ZXCOSPDTPXTKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N5O2.ClH/c1-15(2)21-12-22(30-29-21)18-11-17(16-3-5-20(6-4-16)34-24(25,26)27)13-32(14-18)23(33)31-9-7-19(28)8-10-31;/h3-6,12,15,17-19H,7-11,13-14,28H2,1-2H3,(H,29,30);1H.
What are the key properties of (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 516.01 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[3-(3-propan-2-yl-1H-pyrazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 141241587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).