tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate

C24H48N4O4 — CID 68676140

IUPACtert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN1CCN(CCCCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H48N4O4/c1-23(2,3)31-21(29)25-13-9-7-11-15-27-17-19-28(20-18-27)16-12-8-10-14-26-22(30)32-24(4,5)6/h7-20H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyUUMPHOVIAGGDEB-UHFFFAOYSA-N
MW456.67 g/mol
LogP3.99
Rot. Bonds12

About tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate

tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate (PubChem CID 68676140) has the molecular formula C24H48N4O4 and a molecular weight of 456.67 g/mol. Its IUPAC name is tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
PubChem CID68676140
Molecular FormulaC24H48N4O4
Molecular Weight456.67 g/mol
Exact Mass456.37
IUPAC Nametert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN1CCN(CCCCCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H48N4O4/c1-23(2,3)31-21(29)25-13-9-7-11-15-27-17-19-28(20-18-27)16-12-8-10-14-26-22(30)32-24(4,5)6/h7-20H2,1-6H3,(H,25,29)(H,26,30)
InChIKeyUUMPHOVIAGGDEB-UHFFFAOYSA-N
XLogP3.99
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.67
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate 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

tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
tert-butyl N-[2-[[N-[4-(4-ethylpiperazin-1-yl)butyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111884477
tert-butyl N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]carbamate
CID 164715475
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899
tert-butyl N-[3-[4-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]carbamate
CID 176953652
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-[3-[[N'-methyl-N-(3-pyrrolidin-1-ylpropyl)carbamimidoyl]amino]propyl]carbamate
CID 111886797
tert-butyl N-[2-[4-[3-[[2-[3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]propylamino]-2-oxoacetyl]amino]propyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 142240393
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate (CID 68676140) is tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCN1CCN(CCCCCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate?
The InChIKey is UUMPHOVIAGGDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N4O4/c1-23(2,3)31-21(29)25-13-9-7-11-15-27-17-19-28(20-18-27)16-12-8-10-14-26-22(30)32-24(4,5)6/h7-20H2,1-6H3,(H,25,29)(H,26,30).
What are the key properties of tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate?
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate has a molecular weight of 456.67 g/mol, XLogP of 3.99, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate is sourced from PubChem (CID 68676140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).