tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate

C27H32N4O4 — CID 159929442

IUPACtert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate
SMILESCC(C(=O)N1CCN(C(=O)c2ccccc2)CC1)n1cc2cc(CC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C27H32N4O4/c1-19(25(33)29-12-14-30(15-13-29)26(34)21-8-6-5-7-9-21)31-18-22-16-20(10-11-23(22)28-31)17-24(32)35-27(2,3)4/h5-11,16,18-19H,12-15,17H2,1-4H3
InChIKeyNZLIYHHOHDRKCD-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.47
Rot. Bonds5

About tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate

tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate (PubChem CID 159929442) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate
PubChem CID159929442
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Nametert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate
SMILESCC(C(=O)N1CCN(C(=O)c2ccccc2)CC1)n1cc2cc(CC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C27H32N4O4/c1-19(25(33)29-12-14-30(15-13-29)26(34)21-8-6-5-7-9-21)31-18-22-16-20(10-11-23(22)28-31)17-24(32)35-27(2,3)4/h5-11,16,18-19H,12-15,17H2,1-4H3
InChIKeyNZLIYHHOHDRKCD-UHFFFAOYSA-N
XLogP3.47
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
CID 153087783
tert-butyl 2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-6-methylindazol-5-yl]acetate
CID 157297178
tert-butyl 2-[2-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]indazol-5-yl]acetate
CID 157176087
tert-butyl 2-[2-[2-(4-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]indazol-5-yl]acetate
CID 157401907
trans-tert-butyl (1R,2R)-2-(4-benzoylpiperazin-1-yl)cyclohexane-1-carboxylate
CID 12068985
2-[2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethanone
CID 161200591
(2S)-1-(4-benzoylpiperazin-1-yl)-2-thiomorpholin-4-ylpropan-1-one
CID 97239151
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 70726909
(2S)-2-amino-3-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]phenyl]propanoic acid
CID 21345433
1-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 110802073
tert-butyl 4-(2-naphthalen-2-ylacetyl)piperazine-1-carboxylate
CID 140993282
tert-butyl 4-(3-acetyloxybenzoyl)piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate?
The IUPAC name of tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate (CID 159929442) is tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate is CC(C(=O)N1CCN(C(=O)c2ccccc2)CC1)n1cc2cc(CC(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate?
The InChIKey is NZLIYHHOHDRKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-19(25(33)29-12-14-30(15-13-29)26(34)21-8-6-5-7-9-21)31-18-22-16-20(10-11-23(22)28-31)17-24(32)35-27(2,3)4/h5-11,16,18-19H,12-15,17H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate?
tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate has a molecular weight of 476.58 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[1-(4-benzoylpiperazin-1-yl)-1-oxopropan-2-yl]indazol-5-yl]acetate is sourced from PubChem (CID 159929442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).