N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide

C29H29N3O2 — CID 55850392

IUPACN-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1
InChIInChI=1S/C29H29N3O2/c1-20-9-5-6-12-23(20)29(34)31-22-15-17-32(18-16-22)27(21-10-3-2-4-11-21)28(33)25-19-30-26-14-8-7-13-24(25)26/h2-14,19,22,27,30H,15-18H2,1H3,(H,31,34)
InChIKeyAWZYNAMGGLTGSX-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.29
Rot. Bonds6

About N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 55850392) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID55850392
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC NameN-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1
InChIInChI=1S/C29H29N3O2/c1-20-9-5-6-12-23(20)29(34)31-22-15-17-32(18-16-22)27(21-10-3-2-4-11-21)28(33)25-19-30-26-14-8-7-13-24(25)26/h2-14,19,22,27,30H,15-18H2,1H3,(H,31,34)
InChIKeyAWZYNAMGGLTGSX-UHFFFAOYSA-N
XLogP5.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8892178
2-[4-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperazin-1-yl]-N-propylacetamide
CID 8774224
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 40855341
3-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-3-yl]propanoic acid
CID 122100942
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
N-[1-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 55498832
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-cyclopropyl-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]benzamide
CID 38112267
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide (CID 55850392) is N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(C(C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is AWZYNAMGGLTGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-20-9-5-6-12-23(20)29(34)31-22-15-17-32(18-16-22)27(21-10-3-2-4-11-21)28(33)25-19-30-26-14-8-7-13-24(25)26/h2-14,19,22,27,30H,15-18H2,1H3,(H,31,34).
What are the key properties of N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 451.57 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 55850392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).