N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide

C22H28FN5O2 — CID 141315174

IUPACN-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCN1CCN(C2CCN(C(=O)Nc3cc(Oc4cccc(F)c4)ccn3)CC2)CC1
InChIInChI=1S/C22H28FN5O2/c1-26-11-13-27(14-12-26)18-6-9-28(10-7-18)22(29)25-21-16-20(5-8-24-21)30-19-4-2-3-17(23)15-19/h2-5,8,15-16,18H,6-7,9-14H2,1H3,(H,24,25,29)
InChIKeyCJIGAGIKWJMBCA-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.26
Rot. Bonds4

About N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide

N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide (PubChem CID 141315174) has the molecular formula C22H28FN5O2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
PubChem CID141315174
Molecular FormulaC22H28FN5O2
Molecular Weight413.50 g/mol
Exact Mass413.22
IUPAC NameN-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
SMILESCN1CCN(C2CCN(C(=O)Nc3cc(Oc4cccc(F)c4)ccn3)CC2)CC1
InChIInChI=1S/C22H28FN5O2/c1-26-11-13-27(14-12-26)18-6-9-28(10-7-18)22(29)25-21-16-20(5-8-24-21)30-19-4-2-3-17(23)15-19/h2-5,8,15-16,18H,6-7,9-14H2,1H3,(H,24,25,29)
InChIKeyCJIGAGIKWJMBCA-UHFFFAOYSA-N
XLogP3.26
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[[2-(4-fluorophenyl)acetyl]carbamoylamino]phenoxy]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23152968
N-[4-[3-fluoro-4-[[2-[1-[2-(4-fluoroanilino)-2-oxoethyl]cyclopropyl]acetyl]amino]phenoxy]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide;hydrochloride
CID 131730212
N-[4-[3-fluoro-4-[2-[1-[(4-fluorophenyl)carbamoyl]cyclopropyl]-2-oxoethyl]phenoxy]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide
CID 155539567
N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 23153163
1-N'-[2-fluoro-4-[[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;hydrochloride
CID 67135964
N-[4-(3-fluorophenoxy)-2-pyridinyl]acetamide
CID 141205782
N-[4-[[2-[[4-(azetidin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]carbamate
CID 23153186
1-N'-[4-[[2-(azetidine-1-carbonylamino)-4-pyridinyl]oxy]-2-fluorophenyl]-2-[2-carbamoyl-2-[[2-fluoro-4-[[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]-(4-fluorophenyl)carbamoyl]cyclopropyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 87373399
N-methyl-5-[[2-[(4-pyrrolidin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]indole-1-carboxamide
CID 10434497
1-N-(4-fluorophenyl)-1-N'-[2-fluoro-4-[[2-[(4-piperazin-1-ylpiperidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 59596932
4-methyl-N-[4-[[6-(2-methylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]piperazine-1-carboxamide
CID 86274672
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606080

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide (CID 141315174) is N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide is CN1CCN(C2CCN(C(=O)Nc3cc(Oc4cccc(F)c4)ccn3)CC2)CC1.
What is the InChIKey of N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide?
The InChIKey is CJIGAGIKWJMBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O2/c1-26-11-13-27(14-12-26)18-6-9-28(10-7-18)22(29)25-21-16-20(5-8-24-21)30-19-4-2-3-17(23)15-19/h2-5,8,15-16,18H,6-7,9-14H2,1H3,(H,24,25,29).
What are the key properties of N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide?
N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide has a molecular weight of 413.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenoxy)-2-pyridinyl]-4-(4-methylpiperazin-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141315174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).