phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

C20H26ClN5O2 — CID 120918643

IUPACphenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C20H25N5O2.ClH/c26-18(17-5-2-1-3-6-17)23-13-15-24(16-14-23)19(27)20(7-10-21-11-8-20)25-12-4-9-22-25;/h1-6,9,12,21H,7-8,10-11,13-16H2;1H
InChIKeyFUYCTGAZKSDLJR-UHFFFAOYSA-N
MW403.91 g/mol
LogP1.37
Rot. Bonds3

About phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120918643) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namephenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120918643
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Namephenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C20H25N5O2.ClH/c26-18(17-5-2-1-3-6-17)23-13-15-24(16-14-23)19(27)20(7-10-21-11-8-20)25-12-4-9-22-25;/h1-6,9,12,21H,7-8,10-11,13-16H2;1H
InChIKeyFUYCTGAZKSDLJR-UHFFFAOYSA-N
XLogP1.37
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120917356
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
morpholin-4-yl-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120917128
4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-sulfonamide;hydrochloride
CID 120920971
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
(3-methyl-3-phenylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120932921
N,N-diethyl-4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazine-1-carboxamide;hydrochloride
CID 120923593
(4-ethyl-4-methylpiperidin-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120930116
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120940660
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 120918643) is phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccccc1)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is FUYCTGAZKSDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2.ClH/c26-18(17-5-2-1-3-6-17)23-13-15-24(16-14-23)19(27)20(7-10-21-11-8-20)25-12-4-9-22-25;/h1-6,9,12,21H,7-8,10-11,13-16H2;1H.
What are the key properties of phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120918643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).