N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

C26H27N3O2 — CID 25459838

IUPACN-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)o1
InChIInChI=1S/C26H27N3O2/c1-18-6-11-23(31-18)17-29-14-12-20(13-15-29)26(30)27-22-9-7-19(8-10-22)25-16-21-4-2-3-5-24(21)28-25/h2-11,16,20,28H,12-15,17H2,1H3,(H,27,30)
InChIKeyOBJNNBMWUAKVOJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.59
Rot. Bonds5

About N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 25459838) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID25459838
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)o1
InChIInChI=1S/C26H27N3O2/c1-18-6-11-23(31-18)17-29-14-12-20(13-15-29)26(30)27-22-9-7-19(8-10-22)25-16-21-4-2-3-5-24(21)28-25/h2-11,16,20,28H,12-15,17H2,1H3,(H,27,30)
InChIKeyOBJNNBMWUAKVOJ-UHFFFAOYSA-N
XLogP5.59
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 25459838) is N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is Cc1ccc(CN2CCC(C(=O)Nc3ccc(-c4cc5ccccc5[nH]4)cc3)CC2)o1.
What is the InChIKey of N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OBJNNBMWUAKVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18-6-11-23(31-18)17-29-14-12-20(13-15-29)26(30)27-22-9-7-19(8-10-22)25-16-21-4-2-3-5-24(21)28-25/h2-11,16,20,28H,12-15,17H2,1H3,(H,27,30).
What are the key properties of N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide?
N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 5.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-2-yl)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 25459838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).