[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C22H29N3O3 — CID 55597997

IUPAC[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1ccc2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)[nH]c2c1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)16-7-6-15-13-18(23-17(15)14-16)20(26)24-8-10-25(11-9-24)21(27)19-5-4-12-28-19/h6-7,13-14,19,23H,4-5,8-12H2,1-3H3
InChIKeyRHRDRQVWWGZFEL-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.93
Rot. Bonds2

About [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55597997) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55597997
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1ccc2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)[nH]c2c1
InChIInChI=1S/C22H29N3O3/c1-22(2,3)16-7-6-15-13-18(23-17(15)14-16)20(26)24-8-10-25(11-9-24)21(27)19-5-4-12-28-19/h6-7,13-14,19,23H,4-5,8-12H2,1-3H3
InChIKeyRHRDRQVWWGZFEL-UHFFFAOYSA-N
XLogP2.93
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 110801219
oxolan-2-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807152
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807167
(6-tert-butyl-1H-indol-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55597469
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
2-bromo-2-methyl-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one
CID 114327369
1-[2-(pyrrolidine-1-carbonyl)-1H-indol-6-yl]ethanone
CID 166245873
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[6-(trifluoromethyl)-1H-indol-2-yl]methanone
CID 166889878
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144884
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
1-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021805

Frequently Asked Questions

What is the IUPAC name of [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55597997) is [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC(C)(C)c1ccc2cc(C(=O)N3CCN(C(=O)C4CCCO4)CC3)[nH]c2c1.
What is the InChIKey of [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is RHRDRQVWWGZFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)16-7-6-15-13-18(23-17(15)14-16)20(26)24-8-10-25(11-9-24)21(27)19-5-4-12-28-19/h6-7,13-14,19,23H,4-5,8-12H2,1-3H3.
What are the key properties of [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 383.49 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-tert-butyl-1H-indole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55597997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).