4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide

C26H32FN5O2 — CID 10096048

IUPAC4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
InChIKeyHTPUNSOMSVSTME-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.48
Rot. Bonds4

About 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide

4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 10096048) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID10096048
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1
InChIInChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33)
InChIKeyHTPUNSOMSVSTME-UHFFFAOYSA-N
XLogP4.48
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide (CID 10096048) is 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(c3c[nH]c4cc(F)ccc34)CC2)cc1N1CCN(C)CC1.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is HTPUNSOMSVSTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-30-11-13-31(14-12-30)24-16-20(4-6-25(24)34-2)29-26(33)32-9-7-18(8-10-32)22-17-28-23-15-19(27)3-5-21(22)23/h3-6,15-18,28H,7-14H2,1-2H3,(H,29,33).
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide?
4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 465.57 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 10096048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).