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

C15H21F3N4O — CID 120918558

IUPAC(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(C(F)(F)F)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H21F3N4O/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
InChIKeyYJTVJMOFFVZWFF-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.76
Rot. Bonds2

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

(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 120918558) has the molecular formula C15H21F3N4O and a molecular weight of 330.35 g/mol. Its IUPAC name is (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID120918558
Molecular FormulaC15H21F3N4O
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCCC(C(F)(F)F)C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H21F3N4O/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
InChIKeyYJTVJMOFFVZWFF-UHFFFAOYSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120918557
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
[3-(dimethylamino)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940910
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
CID 120940661
(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
6-azaspiro[3.4]octan-6-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933196
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
(2-ethylthiomorpholin-4-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120933581

Frequently Asked Questions

What is the IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 120918558) is (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is 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?
The InChIKey is YJTVJMOFFVZWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O/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.
What are the key properties of (4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-pyrazol-1-ylpiperidin-4-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 330.35 g/mol, XLogP of 1.76, 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 is sourced from PubChem (CID 120918558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).