[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone

C20H26FN5O — CID 120836185

IUPAC[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1)N1CCNCC1
InChIInChI=1S/C20H26FN5O/c21-17-3-5-18(6-4-17)26-19(7-8-23-26)15-24-11-1-2-16(14-24)20(27)25-12-9-22-10-13-25/h3-8,16,22H,1-2,9-15H2
InChIKeyVSTWZLMQXHNZKC-UHFFFAOYSA-N
MW371.46 g/mol
LogP1.66
Rot. Bonds4

About [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone

[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone (PubChem CID 120836185) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
PubChem CID120836185
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1)N1CCNCC1
InChIInChI=1S/C20H26FN5O/c21-17-3-5-18(6-4-17)26-19(7-8-23-26)15-24-11-1-2-16(14-24)20(27)25-12-9-22-10-13-25/h3-8,16,22H,1-2,9-15H2
InChIKeyVSTWZLMQXHNZKC-UHFFFAOYSA-N
XLogP1.66
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-phenylpyrazol-3-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836012
1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-amine;hydrochloride
CID 120834889
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
[1-[(4-methyl-3-pyridinyl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836090
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(1-tert-butyltriazol-4-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836097
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
[1-[(1-phenylimidazol-2-yl)methyl]piperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 120836030
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 72892319
3-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]-3,9-diazabicyclo[3.3.1]nonane
CID 120845762
[4-(4-fluorophenyl)piperazin-1-yl]-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 43930403

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone (CID 120836185) is [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone is O=C(C1CCCN(Cc2ccnn2-c2ccc(F)cc2)C1)N1CCNCC1.
What is the InChIKey of [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is VSTWZLMQXHNZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c21-17-3-5-18(6-4-17)26-19(7-8-23-26)15-24-11-1-2-16(14-24)20(27)25-12-9-22-10-13-25/h3-8,16,22H,1-2,9-15H2.
What are the key properties of [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone?
[1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 371.46 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(4-fluorophenyl)pyrazol-3-yl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 120836185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).