4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide

C26H35N3O — CID 92684505

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1
InChIInChI=1S/C26H35N3O/c1-20-16-21(2)18-28(17-20)14-5-13-27-26(30)24-10-8-22(9-11-24)19-29-15-12-23-6-3-4-7-25(23)29/h3-4,6-11,20-21H,5,12-19H2,1-2H3,(H,27,30)/t20-,21-/m0/s1
InChIKeySUCALXGJYSUDKI-SFTDATJTSA-N
MW405.59 g/mol
LogP4.35
Rot. Bonds7

About 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide (PubChem CID 92684505) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
PubChem CID92684505
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
SMILESC[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1
InChIInChI=1S/C26H35N3O/c1-20-16-21(2)18-28(17-20)14-5-13-27-26(30)24-10-8-22(9-11-24)19-29-15-12-23-6-3-4-7-25(23)29/h3-4,6-11,20-21H,5,12-19H2,1-2H3,(H,27,30)/t20-,21-/m0/s1
InChIKeySUCALXGJYSUDKI-SFTDATJTSA-N
XLogP4.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide
CID 38018400
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28569389
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 55782044
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(methoxymethyl)benzamide
CID 51726434
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 38019865
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[3-(dimethylamino)propyl]benzamide
CID 92682379
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92673523
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 92684563
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94022375

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide (CID 92684505) is 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide is C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)C1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide?
The InChIKey is SUCALXGJYSUDKI-SFTDATJTSA-N. The full InChI is InChI=1S/C26H35N3O/c1-20-16-21(2)18-28(17-20)14-5-13-27-26(30)24-10-8-22(9-11-24)19-29-15-12-23-6-3-4-7-25(23)29/h3-4,6-11,20-21H,5,12-19H2,1-2H3,(H,27,30)/t20-,21-/m0/s1.
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide has a molecular weight of 405.59 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 92684505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).