[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone

C27H29FN4O2 — CID 147614300

IUPAC[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(N2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1
InChIInChI=1S/C27H29FN4O2/c28-21-6-10-24(11-7-21)34-23-8-4-20(5-9-23)25-18-22(31-14-2-1-3-15-31)19-26(30-25)27(33)32-16-12-29-13-17-32/h4-11,18-19,29H,1-3,12-17H2
InChIKeyGCPJIFMYPGPBHF-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.72
Rot. Bonds5

About [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone

[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 147614300) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID147614300
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(N2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1
InChIInChI=1S/C27H29FN4O2/c28-21-6-10-24(11-7-21)34-23-8-4-20(5-9-23)25-18-22(31-14-2-1-3-15-31)19-26(30-25)27(33)32-16-12-29-13-17-32/h4-11,18-19,29H,1-3,12-17H2
InChIKeyGCPJIFMYPGPBHF-UHFFFAOYSA-N
XLogP4.72
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone
CID 123486330
6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-ylpyridine-2-carbonitrile
CID 66806435
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
CID 56943334
[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-piperazin-1-ylmethanone;[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 159790861
[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42755348
tert-butyl N-[4-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperazine-1-carboximidoyl]carbamate
CID 173020048
1-[2-chloro-6-(4-fluorophenyl)-4-pyridinyl]piperazine;ethane
CID 145146069
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610437
3-[4-[4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 66668737
1-[2-carboxy-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]indole-6-carboxylic acid
CID 66806410
4-[(1R)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
CID 66668235

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone (CID 147614300) is [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone is O=C(c1cc(N2CCCCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1.
What is the InChIKey of [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is GCPJIFMYPGPBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c28-21-6-10-24(11-7-21)34-23-8-4-20(5-9-23)25-18-22(31-14-2-1-3-15-31)19-26(30-25)27(33)32-16-12-29-13-17-32/h4-11,18-19,29H,1-3,12-17H2.
What are the key properties of [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 460.55 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 147614300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).