tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate

C25H48N4O5 — CID 91066901

IUPACtert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCCCC(O)N(C(=O)OC(C)(C)C)C2CCNCC2)CC1
InChIInChI=1S/C25H48N4O5/c1-24(2,3)33-22(31)27-19-12-17-28(18-13-19)16-8-7-9-21(30)29(20-10-14-26-15-11-20)23(32)34-25(4,5)6/h19-21,26,30H,7-18H2,1-6H3,(H,27,31)
InChIKeyWSPNARRFDLQWGR-UHFFFAOYSA-N
MW484.68 g/mol
LogP3.45
Rot. Bonds8

About tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate

tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate (PubChem CID 91066901) has the molecular formula C25H48N4O5 and a molecular weight of 484.68 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate
PubChem CID91066901
Molecular FormulaC25H48N4O5
Molecular Weight484.68 g/mol
Exact Mass484.36
IUPAC Nametert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCCCC(O)N(C(=O)OC(C)(C)C)C2CCNCC2)CC1
InChIInChI=1S/C25H48N4O5/c1-24(2,3)33-22(31)27-19-12-17-28(18-13-19)16-8-7-9-21(30)29(20-10-14-26-15-11-20)23(32)34-25(4,5)6/h19-21,26,30H,7-18H2,1-6H3,(H,27,31)
InChIKeyWSPNARRFDLQWGR-UHFFFAOYSA-N
XLogP3.45
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.68
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,5-Bis-{t-butoxycarbonyl-[3-(t-butoxycar-bonyl-amino)-propyl]-amino}-pentan-1-ol
CID 18689617
{1-[2-(4-Hydroxy-piperidin-1-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841294
{1-[(S)-2-(4-Hydroxy-piperidin-1-yl)-propyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66841883
tert-butyl N-[1-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-4-yl]carbamate
CID 66841885
{1-[2-((R)-3-Hydroxy-piperidin-1-yl)-ethyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 66842084
tert-butyl N-[1-[2-(3-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]carbamate
CID 66842085
Tert-butyl 4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 67033592
Tert-butyl 4-[2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 67033594
Boc-NH-Piperidine-C5-OH
CID 68406689
Tert-butyl 4-amino-2-hydroxypiperidine-1-carboxylate
CID 69315313
tert-butyl N-[1-(4-hydroxyoxan-4-yl)piperidin-4-yl]carbamate
CID 70290079
Ethyl 4-(5-hydroxypentyl)piperazine-1-carboxylate;ethyl piperazine-1-carboxylate
CID 89844001

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate (CID 91066901) is tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)NC1CCN(CCCCC(O)N(C(=O)OC(C)(C)C)C2CCNCC2)CC1.
What is the InChIKey of tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate?
The InChIKey is WSPNARRFDLQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4O5/c1-24(2,3)33-22(31)27-19-12-17-28(18-13-19)16-8-7-9-21(30)29(20-10-14-26-15-11-20)23(32)34-25(4,5)6/h19-21,26,30H,7-18H2,1-6H3,(H,27,31).
What are the key properties of tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate?
tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate has a molecular weight of 484.68 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-hydroxy-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pentyl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 91066901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).