N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C27H31N5O — CID 24819222

IUPACN-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
InChIInChI=1S/C27H31N5O/c1-19(2)32-17-20(15-28-32)16-31-12-6-9-23(18-31)27(33)29-24-10-5-8-21(13-24)26-14-22-7-3-4-11-25(22)30-26/h3-5,7-8,10-11,13-15,17,19,23,30H,6,9,12,16,18H2,1-2H3,(H,29,33)
InChIKeyRCEPLTQHRCQLIM-UHFFFAOYSA-N
MW441.58 g/mol
LogP5.46
Rot. Bonds6

About N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24819222) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24819222
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC NameN-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCC(C)n1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
InChIInChI=1S/C27H31N5O/c1-19(2)32-17-20(15-28-32)16-31-12-6-9-23(18-31)27(33)29-24-10-5-8-21(13-24)26-14-22-7-3-4-11-25(22)30-26/h3-5,7-8,10-11,13-15,17,19,23,30H,6,9,12,16,18H2,1-2H3,(H,29,33)
InChIKeyRCEPLTQHRCQLIM-UHFFFAOYSA-N
XLogP5.46
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.58
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24819222) is N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide is CC(C)n1cc(CN2CCCC(C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1.
What is the InChIKey of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is RCEPLTQHRCQLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-19(2)32-17-20(15-28-32)16-31-12-6-9-23(18-31)27(33)29-24-10-5-8-21(13-24)26-14-22-7-3-4-11-25(22)30-26/h3-5,7-8,10-11,13-15,17,19,23,30H,6,9,12,16,18H2,1-2H3,(H,29,33).
What are the key properties of N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-2-yl)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24819222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).