tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate

C24H36N4O4 — CID 55971633

IUPACtert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1
InChIInChI=1S/C24H36N4O4/c1-23(2,3)32-22(31)26-19-11-15-28(16-12-19)20(29)24(13-7-8-14-24)27-21(30)25-17-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,26,31)(H2,25,27,30)
InChIKeyDNCMJGBIMBCOJD-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.31
Rot. Bonds5

About tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate (PubChem CID 55971633) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
PubChem CID55971633
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Nametert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1
InChIInChI=1S/C24H36N4O4/c1-23(2,3)32-22(31)26-19-11-15-28(16-12-19)20(29)24(13-7-8-14-24)27-21(30)25-17-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,26,31)(H2,25,27,30)
InChIKeyDNCMJGBIMBCOJD-UHFFFAOYSA-N
XLogP3.31
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3R)-3-aminopyrrolidine-1-carbonyl]cyclopentyl]-3-benzylurea
CID 119409296
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
tert-butyl N-[1-[N-[3-(benzylamino)-3-oxopropyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730646
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
4-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]morpholine-2-carboxylic acid
CID 119239094
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
CID 55536071
benzyl 4-[2-[[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methoxy]ethyl]piperidine-1-carboxylate
CID 167440013
tert-butyl 4-[(4-methylphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108899188
1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
tert-butyl N-[1-[1-(4-fluorophenyl)cyclobutanecarbonyl]piperidin-4-yl]carbamate
CID 55972279

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate (CID 55971633) is tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1.
What is the InChIKey of tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate?
The InChIKey is DNCMJGBIMBCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-23(2,3)32-22(31)26-19-11-15-28(16-12-19)20(29)24(13-7-8-14-24)27-21(30)25-17-18-9-5-4-6-10-18/h4-6,9-10,19H,7-8,11-17H2,1-3H3,(H,26,31)(H2,25,27,30).
What are the key properties of tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate has a molecular weight of 444.58 g/mol, XLogP of 3.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(benzylcarbamoylamino)cyclopentanecarbonyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55971633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).