4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

C30H32FN5O2 — CID 24995037

IUPAC4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccncc5)CC4)cc3F)CC2)cc1
InChIInChI=1S/C30H32FN5O2/c31-28-19-24(30(37)34-25-9-15-35(16-10-25)21-23-7-13-33-14-8-23)3-6-29(28)38-27-11-17-36(18-12-27)26-4-1-22(20-32)2-5-26/h1-8,13-14,19,25,27H,9-12,15-18,21H2,(H,34,37)
InChIKeyGFEPYSBKSIOLMS-UHFFFAOYSA-N
MW513.62 g/mol
LogP4.53
Rot. Bonds7

About 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide

4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (PubChem CID 24995037) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
PubChem CID24995037
Molecular FormulaC30H32FN5O2
Molecular Weight513.62 g/mol
Exact Mass513.25
IUPAC Name4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
SMILESN#Cc1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccncc5)CC4)cc3F)CC2)cc1
InChIInChI=1S/C30H32FN5O2/c31-28-19-24(30(37)34-25-9-15-35(16-10-25)21-23-7-13-33-14-8-23)3-6-29(28)38-27-11-17-36(18-12-27)26-4-1-22(20-32)2-5-26/h1-8,13-14,19,25,27H,9-12,15-18,21H2,(H,34,37)
InChIKeyGFEPYSBKSIOLMS-UHFFFAOYSA-N
XLogP4.53
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide (CID 24995037) is 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is N#Cc1ccc(N2CCC(Oc3ccc(C(=O)NC4CCN(Cc5ccncc5)CC4)cc3F)CC2)cc1.
What is the InChIKey of 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
The InChIKey is GFEPYSBKSIOLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O2/c31-28-19-24(30(37)34-25-9-15-35(16-10-25)21-23-7-13-33-14-8-23)3-6-29(28)38-27-11-17-36(18-12-27)26-4-1-22(20-32)2-5-26/h1-8,13-14,19,25,27H,9-12,15-18,21H2,(H,34,37).
What are the key properties of 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide?
4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide has a molecular weight of 513.62 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyanophenyl)piperidin-4-yl]oxy-3-fluoro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 24995037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).