[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

C22H25FN4O2 — CID 120737862

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccncc1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C22H25FN4O2/c23-19-5-1-3-17(13-19)20-14-25-10-12-27(20)22(29)18-4-2-11-26(15-18)21(28)16-6-8-24-9-7-16/h1,3,5-9,13,18,20,25H,2,4,10-12,14-15H2
InChIKeySVLHVALFIDGDHY-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.25
Rot. Bonds3

About [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone

[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (PubChem CID 120737862) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
PubChem CID120737862
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1ccncc1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1
InChIInChI=1S/C22H25FN4O2/c23-19-5-1-3-17(13-19)20-14-25-10-12-27(20)22(29)18-4-2-11-26(15-18)21(28)16-6-8-24-9-7-16/h1,3,5-9,13,18,20,25H,2,4,10-12,14-15H2
InChIKeySVLHVALFIDGDHY-UHFFFAOYSA-N
XLogP2.25
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
(2-methylpiperazin-1-yl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone;dihydrochloride
CID 119470241
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120735563
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone (CID 120737862) is [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is O=C(c1ccncc1)N1CCCC(C(=O)N2CCNCC2c2cccc(F)c2)C1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
The InChIKey is SVLHVALFIDGDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c23-19-5-1-3-17(13-19)20-14-25-10-12-27(20)22(29)18-4-2-11-26(15-18)21(28)16-6-8-24-9-7-16/h1,3,5-9,13,18,20,25H,2,4,10-12,14-15H2.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone has a molecular weight of 396.47 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 120737862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).