tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

C17H30N4O5 — CID 10133744

IUPACtert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H30N4O5/c1-16(2,3)25-14(23)19-13(20-15(24)26-17(4,5)6)21-9-7-11(8-10-21)12(18)22/h11H,7-10H2,1-6H3,(H2,18,22)(H,19,20,23,24)
InChIKeyUEFNPJPGXPIAEE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.00
Rot. Bonds1

About tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate

tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate (PubChem CID 10133744) has the molecular formula C17H30N4O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
PubChem CID10133744
Molecular FormulaC17H30N4O5
Molecular Weight370.45 g/mol
Exact Mass370.22
IUPAC Nametert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
SMILESCC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H30N4O5/c1-16(2,3)25-14(23)19-13(20-15(24)26-17(4,5)6)21-9-7-11(8-10-21)12(18)22/h11H,7-10H2,1-6H3,(H2,18,22)(H,19,20,23,24)
InChIKeyUEFNPJPGXPIAEE-UHFFFAOYSA-N
XLogP2.00
TPSA123.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate
CID 10853670
[Tert-butoxycarbonylimino-(4-oxo-piperidin-1-yl)-methyl]-carbamic acid tert-butyl ester
CID 67272519
tert-butyl (NZ)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(4-oxopiperidin-1-yl)methylidene]carbamate
CID 11727568
Tert-butyl 4-(1,4,5,6-tetrahydropyrimidin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 11185986
tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-piperidin-1-ylmethylidene]carbamate
CID 53638430
tert-butyl N-[[4-(aminomethyl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 54513023
(4,5-dihydro-1H-imidazol-2-yl)-(piperidine-4-carbonyl)carbamic acid tert-butyl ester
CID 57660945
tert-butyl N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 60075102
[C-(2-tert-butyl-4-carbamoylpiperidin-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl]carbamic acid
CID 69871940
1-(N,N'-Bis(tert-butoxycarbonyl)carbamimidoyl)piperidine-4-carboxylic acid
CID 131736299
Lithium 1-[4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]amino]butanoyl]piperidine-4-carboxylate
CID 140463307
tert-butyl N-[[4-(2-aminoethyl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 141487217

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate?
The IUPAC name of tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate (CID 10133744) is tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate.
What is the SMILES notation for tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate?
The canonical SMILES for tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate is CC(C)(C)OC(=O)/N=C(\NC(=O)OC(C)(C)C)N1CCC(C(N)=O)CC1.
What is the InChIKey of tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate?
The InChIKey is UEFNPJPGXPIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O5/c1-16(2,3)25-14(23)19-13(20-15(24)26-17(4,5)6)21-9-7-11(8-10-21)12(18)22/h11H,7-10H2,1-6H3,(H2,18,22)(H,19,20,23,24).
What are the key properties of tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate?
tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate has a molecular weight of 370.45 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-[(4-carbamoylpiperidin-1-yl)-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate is sourced from PubChem (CID 10133744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).