3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C24H30N4O2 — CID 60599643

IUPAC3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC1Cc2ccccc2N1CCNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-18-16-19-8-5-6-12-22(19)28(18)15-13-25-23(29)20-9-7-14-27(17-20)24(30)26-21-10-3-2-4-11-21/h2-6,8,10-12,18,20H,7,9,13-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyACPDPBPJDSEQRI-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.50
Rot. Bonds5

About 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide

3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 60599643) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID60599643
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCC1Cc2ccccc2N1CCNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-18-16-19-8-5-6-12-22(19)28(18)15-13-25-23(29)20-9-7-14-27(17-20)24(30)26-21-10-3-2-4-11-21/h2-6,8,10-12,18,20H,7,9,13-17H2,1H3,(H,25,29)(H,26,30)
InChIKeyACPDPBPJDSEQRI-UHFFFAOYSA-N
XLogP3.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
3-N-[3-(methylamino)propyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119431536
3-N-[2-(cycloheptylamino)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 119620174
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60599694
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
3-N-butyl-1-N-[3-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50845776
trans-(1R,3R)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 124688900
cis-(1R,3S)-3-amino-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]cyclopentane-1-carboxamide
CID 125120867
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
3-N-(3-cyclohexyloxypropyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51239700
(3S)-1-(4-chlorophenyl)sulfonyl-N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]piperidine-3-carboxamide
CID 125059122

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 60599643) is 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is CC1Cc2ccccc2N1CCNC(=O)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is ACPDPBPJDSEQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-16-19-8-5-6-12-22(19)28(18)15-13-25-23(29)20-9-7-14-27(17-20)24(30)26-21-10-3-2-4-11-21/h2-6,8,10-12,18,20H,7,9,13-17H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 60599643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).