[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate

C34H60N8O8 — CID 54243068

IUPAC[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate
SMILESCC1(NC(=O)ON2CCN(C(=O)OC3CCCC(OC(=O)N4CCN(OC(=O)NC5(C)CCC(N)CC5)CC4)CCC3)CC2)CCC(N)CC1
InChIInChI=1S/C34H60N8O8/c1-33(13-9-25(35)10-14-33)37-29(43)49-41-21-17-39(18-22-41)31(45)47-27-5-3-7-28(8-4-6-27)48-32(46)40-19-23-42(24-20-40)50-30(44)38-34(2)15-11-26(36)12-16-34/h25-28H,3-24,35-36H2,1-2H3,(H,37,43)(H,38,44)
InChIKeyQRJDNXVXHLLYCR-UHFFFAOYSA-N
MW708.90 g/mol
LogP3.19
Rot. Bonds6

About [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate

[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate (PubChem CID 54243068) has the molecular formula C34H60N8O8 and a molecular weight of 708.90 g/mol. Its IUPAC name is [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate.

Molecular Properties

Compound Name[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate
PubChem CID54243068
Molecular FormulaC34H60N8O8
Molecular Weight708.90 g/mol
Exact Mass708.45
IUPAC Name[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate
SMILESCC1(NC(=O)ON2CCN(C(=O)OC3CCCC(OC(=O)N4CCN(OC(=O)NC5(C)CCC(N)CC5)CC4)CCC3)CC2)CCC(N)CC1
InChIInChI=1S/C34H60N8O8/c1-33(13-9-25(35)10-14-33)37-29(43)49-41-21-17-39(18-22-41)31(45)47-27-5-3-7-28(8-4-6-27)48-32(46)40-19-23-42(24-20-40)50-30(44)38-34(2)15-11-26(36)12-16-34/h25-28H,3-24,35-36H2,1-2H3,(H,37,43)(H,38,44)
InChIKeyQRJDNXVXHLLYCR-UHFFFAOYSA-N
XLogP3.19
TPSA194.26 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate?
The IUPAC name of [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate (CID 54243068) is [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate.
What is the SMILES notation for [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate?
The canonical SMILES for [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate is CC1(NC(=O)ON2CCN(C(=O)OC3CCCC(OC(=O)N4CCN(OC(=O)NC5(C)CCC(N)CC5)CC4)CCC3)CC2)CCC(N)CC1.
What is the InChIKey of [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate?
The InChIKey is QRJDNXVXHLLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N8O8/c1-33(13-9-25(35)10-14-33)37-29(43)49-41-21-17-39(18-22-41)31(45)47-27-5-3-7-28(8-4-6-27)48-32(46)40-19-23-42(24-20-40)50-30(44)38-34(2)15-11-26(36)12-16-34/h25-28H,3-24,35-36H2,1-2H3,(H,37,43)(H,38,44).
What are the key properties of [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate?
[5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate has a molecular weight of 708.90 g/mol, XLogP of 3.19, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carbonyl]oxycyclooctyl] 4-[(4-amino-1-methylcyclohexyl)carbamoyloxy]piperazine-1-carboxylate is sourced from PubChem (CID 54243068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).