N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C24H28N4O3 — CID 47033961

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H28N4O3/c29-23(22-10-5-17-31-22)26-13-15-27(16-14-26)24(30)25-19-7-2-4-9-21(19)28-12-11-18-6-1-3-8-20(18)28/h1-4,6-9,22H,5,10-17H2,(H,25,30)
InChIKeyJETUIFXVMNVDIE-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.24
Rot. Bonds3

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 47033961) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID47033961
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C24H28N4O3/c29-23(22-10-5-17-31-22)26-13-15-27(16-14-26)24(30)25-19-7-2-4-9-21(19)28-12-11-18-6-1-3-8-20(18)28/h1-4,6-9,22H,5,10-17H2,(H,25,30)
InChIKeyJETUIFXVMNVDIE-UHFFFAOYSA-N
XLogP3.24
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperazine-1-carboxamide
CID 112825895
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
(Z)-but-2-enedioic acid;N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methylpiperazine-1-carboxamide
CID 70406277
N-[6-(2,3-dihydroindol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 113016563
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 136577578
N-(2,6-dimethyl-3-pyridinyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 146091914
butyl 2-[[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]amino]benzoate
CID 3757261
[4-(2-methylphenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 27233042
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
N-[2-(2,3-dihydroindol-1-yl)phenyl]oxolane-3-carboxamide
CID 75921266

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 47033961) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is O=C(Nc1ccccc1N1CCc2ccccc21)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is JETUIFXVMNVDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23(22-10-5-17-31-22)26-13-15-27(16-14-26)24(30)25-19-7-2-4-9-21(19)28-12-11-18-6-1-3-8-20(18)28/h1-4,6-9,22H,5,10-17H2,(H,25,30).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 47033961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).