tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate

C23H32N4O3 — CID 130460166

IUPACtert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate
SMILESCC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C23H32N4O3/c1-16(28)19-13-18(14-21-20(19)15-24-27(21)17-7-5-6-8-17)25-9-11-26(12-10-25)22(29)30-23(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyNQBWJHFOCYWCGT-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.41
Rot. Bonds3

About tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate

tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate (PubChem CID 130460166) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate
PubChem CID130460166
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Nametert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate
SMILESCC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C23H32N4O3/c1-16(28)19-13-18(14-21-20(19)15-24-27(21)17-7-5-6-8-17)25-9-11-26(12-10-25)22(29)30-23(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyNQBWJHFOCYWCGT-UHFFFAOYSA-N
XLogP4.41
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
CID 24746486
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate
CID 21136190
tert-butyl 4-(5-cyclopropyl-3-pyridinyl)-1,4-diazepane-1-carboxylate
CID 11695402
5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]-2-(oxidoamino)benzoic acid
CID 143958593
tert-butyl 4-[4-(4-methylpiperazin-1-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 169092669
dimethyl 3-fluoro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzene-1,2-dicarboxylate;ethane
CID 142327290
tert-butyl 4-cyclohexylpiperazine-1-carboxylate
CID 57478584
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 36995546
tert-butyl 4-(2-methylsulfonylpyrimidin-5-yl)piperazine-1-carboxylate
CID 168896507
tert-butyl 4-[3-acetyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-5-yl]piperazine-1-carboxylate
CID 118323541
dimethyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-propan-2-yloxybenzene-1,2-dicarboxylate
CID 163267768

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate (CID 130460166) is tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate is CC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)cc2c1cnn2C1CCCC1.
What is the InChIKey of tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate?
The InChIKey is NQBWJHFOCYWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-16(28)19-13-18(14-21-20(19)15-24-27(21)17-7-5-6-8-17)25-9-11-26(12-10-25)22(29)30-23(2,3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate?
tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate is sourced from PubChem (CID 130460166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).