N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

C24H29N3O2 — CID 55850896

IUPACN-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NC3CCCN(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C24H29N3O2/c1-2-23(28)27-14-12-19-15-20(10-11-22(19)27)24(29)25-21-9-6-13-26(17-21)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,21H,2,6,9,12-14,16-17H2,1H3,(H,25,29)
InChIKeyZMXXWURAOQPTIL-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.38
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide

N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55850896) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
PubChem CID55850896
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
SMILESCCC(=O)N1CCc2cc(C(=O)NC3CCCN(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C24H29N3O2/c1-2-23(28)27-14-12-19-15-20(10-11-22(19)27)24(29)25-21-9-6-13-26(17-21)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,21H,2,6,9,12-14,16-17H2,1H3,(H,25,29)
InChIKeyZMXXWURAOQPTIL-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
CID 51958924
N-cyclohexyl-1-propanoyl-2,3-dihydroindole-6-carboxamide
CID 53014606
3-amino-N-(1-benzylpiperidin-3-yl)-5-fluoro-4-methylbenzamide
CID 113239291
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55789985
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
N-cyclopentyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080886
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
N-[(1S)-1-phenylbutyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 51959111
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide (CID 55850896) is N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is CCC(=O)N1CCc2cc(C(=O)NC3CCCN(Cc4ccccc4)C3)ccc21.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZMXXWURAOQPTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-23(28)27-14-12-19-15-20(10-11-22(19)27)24(29)25-21-9-6-13-26(17-21)16-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,21H,2,6,9,12-14,16-17H2,1H3,(H,25,29).
What are the key properties of N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide?
N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-1-propanoyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55850896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).