5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

C28H31N3O — CID 24737435

IUPAC5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)N1CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C28H31N3O/c32-28(29-26-12-7-17-30(21-26)18-15-22-8-3-1-4-9-22)31-19-16-25-20-24(13-14-27(25)31)23-10-5-2-6-11-23/h1-6,8-11,13-14,20,26H,7,12,15-19,21H2,(H,29,32)
InChIKeyPCQZPTPYXPYVJH-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.13
Rot. Bonds5

About 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide

5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 24737435) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID24737435
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC Name5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCCN(CCc2ccccc2)C1)N1CCc2cc(-c3ccccc3)ccc21
InChIInChI=1S/C28H31N3O/c32-28(29-26-12-7-17-30(21-26)18-15-22-8-3-1-4-9-22)31-19-16-25-20-24(13-14-27(25)31)23-10-5-2-6-11-23/h1-6,8-11,13-14,20,26H,7,12,15-19,21H2,(H,29,32)
InChIKeyPCQZPTPYXPYVJH-UHFFFAOYSA-N
XLogP5.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24737434
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55850896
2-(2-oxopyrrolidin-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 25366353
N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]-5-phenyl-2,3-dihydroindole-1-carboxamide
CID 24737430
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 26392211
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 25460236
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
N-[1-(cyclohexylmethyl)piperidin-3-yl]-5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carboxamide
CID 24736898
3-phenoxy-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 56853055

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide (CID 24737435) is 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide is O=C(NC1CCCN(CCc2ccccc2)C1)N1CCc2cc(-c3ccccc3)ccc21.
What is the InChIKey of 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is PCQZPTPYXPYVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c32-28(29-26-12-7-17-30(21-26)18-15-22-8-3-1-4-9-22)31-19-16-25-20-24(13-14-27(25)31)23-10-5-2-6-11-23/h1-6,8-11,13-14,20,26H,7,12,15-19,21H2,(H,29,32).
What are the key properties of 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide?
5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 425.58 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24737435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).