4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

C28H29N3O2 — CID 43908264

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C28H29N3O2/c32-27(29-25-10-4-3-9-24(25)28(33)30-17-6-1-7-18-30)23-14-12-21(13-15-23)20-31-19-16-22-8-2-5-11-26(22)31/h2-5,8-15H,1,6-7,16-20H2,(H,29,32)
InChIKeyDNUKVMFADBIQLL-UHFFFAOYSA-N
MW439.56 g/mol
LogP5.13
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 43908264) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID43908264
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C28H29N3O2/c32-27(29-25-10-4-3-9-24(25)28(33)30-17-6-1-7-18-30)23-14-12-21(13-15-23)20-31-19-16-22-8-2-5-11-26(22)31/h2-5,8-15H,1,6-7,16-20H2,(H,29,32)
InChIKeyDNUKVMFADBIQLL-UHFFFAOYSA-N
XLogP5.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.56
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydroindol-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 38000598
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 92684563
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-[2-(azepane-1-carbonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 38099909
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 38099687
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide (CID 43908264) is 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is DNUKVMFADBIQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c32-27(29-25-10-4-3-9-24(25)28(33)30-17-6-1-7-18-30)23-14-12-21(13-15-23)20-31-19-16-22-8-2-5-11-26(22)31/h2-5,8-15H,1,6-7,16-20H2,(H,29,32).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 5.13, 5 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-[2-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 43908264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).