furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

C18H24ClN5O3 — CID 120917356

IUPACfuran-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccco1)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C18H23N5O3.ClH/c24-16(15-3-1-14-26-15)21-10-12-22(13-11-21)17(25)18(4-7-19-8-5-18)23-9-2-6-20-23;/h1-3,6,9,14,19H,4-5,7-8,10-13H2;1H
InChIKeyLQDKMUZSIHGNAW-UHFFFAOYSA-N
MW393.88 g/mol
LogP0.96
Rot. Bonds3

About furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride

furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120917356) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120917356
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC Namefuran-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccco1)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C18H23N5O3.ClH/c24-16(15-3-1-14-26-15)21-10-12-22(13-11-21)17(25)18(4-7-19-8-5-18)23-9-2-6-20-23;/h1-3,6,9,14,19H,4-5,7-8,10-13H2;1H
InChIKeyLQDKMUZSIHGNAW-UHFFFAOYSA-N
XLogP0.96
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120918643
(4-fluorophenyl)-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 120922404
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
furan-2-yl-[4-(1-pyrrol-1-ylcyclohexanecarbonyl)piperazin-1-yl]methanone
CID 46328246
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
(4-cyclopentyl-1,4-diazepan-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120940661
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930215
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120941863
1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874366
furan-2-yl-[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]methanone
CID 110906971
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 56722979

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 120917356) is furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccco1)N1CCN(C(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is LQDKMUZSIHGNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c24-16(15-3-1-14-26-15)21-10-12-22(13-11-21)17(25)18(4-7-19-8-5-18)23-9-2-6-20-23;/h1-3,6,9,14,19H,4-5,7-8,10-13H2;1H.
What are the key properties of furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120917356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).