1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine

C70H135N15 — CID 146369195

IUPAC1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
SMILESCCN1CCN(C2CCN(C(C)(C)C(C)(N3CCC(N4CCN(C(C)(C)C)CC4)CC3)C(C)(N3CCC(N4CCN(C)CC4)CC3)C(C)(N3CCC(N4CCN(C(C)C)CC4)CC3)C(C)(C)N3CCC(N4CCN(C5CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C70H135N15/c1-15-72-40-44-75(45-41-72)60-18-28-81(29-19-60)66(7,8)69(12,84-34-24-64(25-35-84)79-54-56-80(57-55-79)65(4,5)6)70(13,85-36-26-62(27-37-85)74-42-38-71(14)39-43-74)68(11,83-32-22-63(23-33-83)77-48-46-73(47-49-77)58(2)3)67(9,10)82-30-20-61(21-31-82)78-52-50-76(51-53-78)59-16-17-59/h58-64H,15-57H2,1-14H3
InChIKeyDFMGDHNWDYVXNM-UHFFFAOYSA-N
MW1186.95 g/mol
LogP6.25
Rot. Bonds17

About 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine

1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine (PubChem CID 146369195) has the molecular formula C70H135N15 and a molecular weight of 1186.95 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
PubChem CID146369195
Molecular FormulaC70H135N15
Molecular Weight1186.95 g/mol
Exact Mass1186.10
IUPAC Name1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
SMILESCCN1CCN(C2CCN(C(C)(C)C(C)(N3CCC(N4CCN(C(C)(C)C)CC4)CC3)C(C)(N3CCC(N4CCN(C)CC4)CC3)C(C)(N3CCC(N4CCN(C(C)C)CC4)CC3)C(C)(C)N3CCC(N4CCN(C5CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C70H135N15/c1-15-72-40-44-75(45-41-72)60-18-28-81(29-19-60)66(7,8)69(12,84-34-24-64(25-35-84)79-54-56-80(57-55-79)65(4,5)6)70(13,85-36-26-62(27-37-85)74-42-38-71(14)39-43-74)68(11,83-32-22-63(23-33-83)77-48-46-73(47-49-77)58(2)3)67(9,10)82-30-20-61(21-31-82)78-52-50-76(51-53-78)59-16-17-59/h58-64H,15-57H2,1-14H3
InChIKeyDFMGDHNWDYVXNM-UHFFFAOYSA-N
XLogP6.25
TPSA48.60 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.95
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine?
The IUPAC name of 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine (CID 146369195) is 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine.
What is the SMILES notation for 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine?
The canonical SMILES for 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine is CCN1CCN(C2CCN(C(C)(C)C(C)(N3CCC(N4CCN(C(C)(C)C)CC4)CC3)C(C)(N3CCC(N4CCN(C)CC4)CC3)C(C)(N3CCC(N4CCN(C(C)C)CC4)CC3)C(C)(C)N3CCC(N4CCN(C5CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine?
The InChIKey is DFMGDHNWDYVXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H135N15/c1-15-72-40-44-75(45-41-72)60-18-28-81(29-19-60)66(7,8)69(12,84-34-24-64(25-35-84)79-54-56-80(57-55-79)65(4,5)6)70(13,85-36-26-62(27-37-85)74-42-38-71(14)39-43-74)68(11,83-32-22-63(23-33-83)77-48-46-73(47-49-77)58(2)3)67(9,10)82-30-20-61(21-31-82)78-52-50-76(51-53-78)59-16-17-59/h58-64H,15-57H2,1-14H3.
What are the key properties of 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine?
1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine has a molecular weight of 1186.95 g/mol, XLogP of 6.25, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine is sourced from PubChem (CID 146369195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).