N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide

C22H34N4O2 — CID 45227464

IUPACN-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C22H34N4O2/c1-22(2,3)16-26-14-11-24-21(28)19(26)15-20(27)23-10-6-12-25-13-9-17-7-4-5-8-18(17)25/h4-5,7-8,19H,6,9-16H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIRRFLRKZVFUGSZ-UHFFFAOYSA-N
MW386.54 g/mol
LogP1.79
Rot. Bonds7

About N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide

N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 45227464) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID45227464
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)NCCCN1CCc2ccccc21
InChIInChI=1S/C22H34N4O2/c1-22(2,3)16-26-14-11-24-21(28)19(26)15-20(27)23-10-6-12-25-13-9-17-7-4-5-8-18(17)25/h4-5,7-8,19H,6,9-16H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIRRFLRKZVFUGSZ-UHFFFAOYSA-N
XLogP1.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 45210398
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-methylpropanamide
CID 61264292
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
CID 136733916
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide
CID 136782800
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 38464494
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
2-(4-bromophenyl)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 36717956
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[3-(2,3-dihydroindol-1-yl)propyl]acetamide
CID 30253872
N-[3-(2,3-dihydroindol-1-yl)propyl]-3-piperidin-3-ylbutanamide
CID 119851195

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide (CID 45227464) is N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide is CC(C)(C)CN1CCNC(=O)C1CC(=O)NCCCN1CCc2ccccc21.
What is the InChIKey of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is IRRFLRKZVFUGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-22(2,3)16-26-14-11-24-21(28)19(26)15-20(27)23-10-6-12-25-13-9-17-7-4-5-8-18(17)25/h4-5,7-8,19H,6,9-16H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide?
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroindol-1-yl)propyl]-2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45227464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).