(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone

C17H25N3O — CID 76903989

IUPAC(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C17H25N3O/c1-17(2,3)20-10-8-19(9-11-20)16(21)15-12-13-6-4-5-7-14(13)18-15/h4-7,15,18H,8-12H2,1-3H3
InChIKeyRZWGLQXGUKVRAQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.97
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone

(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone (PubChem CID 76903989) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
PubChem CID76903989
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2Cc3ccccc3N2)CC1
InChIInChI=1S/C17H25N3O/c1-17(2,3)20-10-8-19(9-11-20)16(21)15-12-13-6-4-5-7-14(13)18-15/h4-7,15,18H,8-12H2,1-3H3
InChIKeyRZWGLQXGUKVRAQ-UHFFFAOYSA-N
XLogP1.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695
2,3-dihydro-1H-indol-2-yl-(4,4-dimethylazepan-1-yl)methanone
CID 77064458
8-azaspiro[4.5]decan-8-yl(2,3-dihydro-1H-indol-2-yl)methanone
CID 76986786

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone (CID 76903989) is (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone is CC(C)(C)N1CCN(C(=O)C2Cc3ccccc3N2)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone?
The InChIKey is RZWGLQXGUKVRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-17(2,3)20-10-8-19(9-11-20)16(21)15-12-13-6-4-5-7-14(13)18-15/h4-7,15,18H,8-12H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone is sourced from PubChem (CID 76903989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).