tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate

C16H30N4O2 — CID 174043427

IUPACtert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate
SMILESCCCC=N/C(=N\C)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-6-7-10-18-14(17-5)20-11-8-13(9-12-20)19-15(21)22-16(2,3)4/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)/b17-14+,18-10?
InChIKeyBNOUUCHKOZPLCH-MBNKRCRXSA-N
MW310.44 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate (PubChem CID 174043427) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate
PubChem CID174043427
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate
SMILESCCCC=N/C(=N\C)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O2/c1-6-7-10-18-14(17-5)20-11-8-13(9-12-20)19-15(21)22-16(2,3)4/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)/b17-14+,18-10?
InChIKeyBNOUUCHKOZPLCH-MBNKRCRXSA-N
XLogP2.83
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(N'-ethenyl-N-methylidenecarbamimidoyl)piperidin-4-yl]carbamate
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4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
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ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
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tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
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tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-[1-(N'-methyl-N-prop-2-enylcarbamimidoyl)pyrrolidin-3-yl]carbamate;hydroiodide
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4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
tert-butyl N-[1-(N'-methyl-N-prop-2-ynylcarbamimidoyl)pyrrolidin-3-yl]carbamate
CID 111730097
tert-butyl N-[1-[C-[(2E)-4-fluoropenta-2,4-dien-2-yl]-N-methylcarbonimidoyl]piperidin-4-yl]carbamate
CID 121429866
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate (CID 174043427) is tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate is CCCC=N/C(=N\C)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate?
The InChIKey is BNOUUCHKOZPLCH-MBNKRCRXSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-6-7-10-18-14(17-5)20-11-8-13(9-12-20)19-15(21)22-16(2,3)4/h10,13H,6-9,11-12H2,1-5H3,(H,19,21)/b17-14+,18-10?.
What are the key properties of tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate has a molecular weight of 310.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(N-butylidene-N'-methylcarbamimidoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 174043427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).