N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide

C29H27N3O4 — CID 40855341

IUPACN-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1
InChIInChI=1S/C29H27N3O4/c33-28(23-17-30-24-9-5-4-8-22(23)24)27(19-6-2-1-3-7-19)32-14-12-20(13-15-32)29(34)31-21-10-11-25-26(16-21)36-18-35-25/h1-11,16-17,20,27,30H,12-15,18H2,(H,31,34)/t27-/m0/s1
InChIKeyGDSPGJREPNXYLB-MHZLTWQESA-N
MW481.55 g/mol
LogP5.17
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide (PubChem CID 40855341) has the molecular formula C29H27N3O4 and a molecular weight of 481.55 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
PubChem CID40855341
Molecular FormulaC29H27N3O4
Molecular Weight481.55 g/mol
Exact Mass481.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1
InChIInChI=1S/C29H27N3O4/c33-28(23-17-30-24-9-5-4-8-22(23)24)27(19-6-2-1-3-7-19)32-14-12-20(13-15-32)29(34)31-21-10-11-25-26(16-21)36-18-35-25/h1-11,16-17,20,27,30H,12-15,18H2,(H,31,34)/t27-/m0/s1
InChIKeyGDSPGJREPNXYLB-MHZLTWQESA-N
XLogP5.17
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide 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

N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]piperidine-4-carboxamide
CID 8995848
N-(1,3-benzodioxol-5-yl)-1-[(2R)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 34452964
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(carbamoylamino)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 34452958
(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 39912469
1-(1,3-benzodioxol-5-yl)-3-(1H-indole-3-carbonylamino)urea
CID 17270202
N-(1,3-benzodioxol-5-yl)-1-(4-oxo-3H-quinazolin-2-yl)piperidine-4-carboxamide
CID 167838729
N-[1-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidin-4-yl]-2-methylbenzamide
CID 55850392
(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-1-(1H-indol-3-yl)-2-phenylethanone
CID 8892178
N-(1,3-benzodioxol-5-yl)-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-4-carboxamide
CID 16590027
N-(1,3-benzodioxol-5-yl)-1-[1-(3,5-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 167799507
1-(1,3-benzodioxol-5-yl)-3-(1H-indol-3-yl)urea
CID 7616079
1-(3-benzamido-3-phenylpropanoyl)-N-(1,3-benzodioxol-5-yl)piperidine-4-carboxamide
CID 17482899

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide (CID 40855341) is N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN([C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
The InChIKey is GDSPGJREPNXYLB-MHZLTWQESA-N. The full InChI is InChI=1S/C29H27N3O4/c33-28(23-17-30-24-9-5-4-8-22(23)24)27(19-6-2-1-3-7-19)32-14-12-20(13-15-32)29(34)31-21-10-11-25-26(16-21)36-18-35-25/h1-11,16-17,20,27,30H,12-15,18H2,(H,31,34)/t27-/m0/s1.
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide has a molecular weight of 481.55 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 40855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).