benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate

C24H35N3O5 — CID 69132744

IUPACbenzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)ON1C2CCC1CC(N1CCN(C(=O)OCc3ccccc3)CC1)C2
InChIInChI=1S/C24H35N3O5/c1-24(2,3)31-23(29)32-27-19-9-10-20(27)16-21(15-19)25-11-13-26(14-12-25)22(28)30-17-18-7-5-4-6-8-18/h4-8,19-21H,9-17H2,1-3H3
InChIKeyMADCMWPIEPPJHE-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.80
Rot. Bonds4

About benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate

benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate (PubChem CID 69132744) has the molecular formula C24H35N3O5 and a molecular weight of 445.56 g/mol. Its IUPAC name is benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate
PubChem CID69132744
Molecular FormulaC24H35N3O5
Molecular Weight445.56 g/mol
Exact Mass445.26
IUPAC Namebenzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)ON1C2CCC1CC(N1CCN(C(=O)OCc3ccccc3)CC1)C2
InChIInChI=1S/C24H35N3O5/c1-24(2,3)31-23(29)32-27-19-9-10-20(27)16-21(15-19)25-11-13-26(14-12-25)22(28)30-17-18-7-5-4-6-8-18/h4-8,19-21H,9-17H2,1-3H3
InChIKeyMADCMWPIEPPJHE-UHFFFAOYSA-N
XLogP3.80
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 70843461
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 163378117
benzyl 4-[1-[[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidin-4-yl]methyl]piperidin-4-yl]piperazine-1-carboxylate
CID 163378131
benzyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 177301155
benzyl 4-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperazine-1-carboxylate
CID 166066109
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carboxylate
CID 131636835
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate (CID 69132744) is benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate is CC(C)(C)OC(=O)ON1C2CCC1CC(N1CCN(C(=O)OCc3ccccc3)CC1)C2.
What is the InChIKey of benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate?
The InChIKey is MADCMWPIEPPJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5/c1-24(2,3)31-23(29)32-27-19-9-10-20(27)16-21(15-19)25-11-13-26(14-12-25)22(28)30-17-18-7-5-4-6-8-18/h4-8,19-21H,9-17H2,1-3H3.
What are the key properties of benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate?
benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate has a molecular weight of 445.56 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[8-[(2-methylpropan-2-yl)oxycarbonyloxy]-8-azabicyclo[3.2.1]octan-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 69132744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).