tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate

C18H31N3O3 — CID 178203068

IUPACtert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C23CCC(N)(CC2)C3)CC1
InChIInChI=1S/C18H31N3O3/c1-16(2,3)24-15(23)20-13-4-10-21(11-5-13)14(22)17-6-8-18(19,12-17)9-7-17/h13H,4-12,19H2,1-3H3,(H,20,23)
InChIKeyPTTTXQDKTATEIN-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.16
Rot. Bonds2

About tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate (PubChem CID 178203068) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate
PubChem CID178203068
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)C23CCC(N)(CC2)C3)CC1
InChIInChI=1S/C18H31N3O3/c1-16(2,3)24-15(23)20-13-4-10-21(11-5-13)14(22)17-6-8-18(19,12-17)9-7-17/h13H,4-12,19H2,1-3H3,(H,20,23)
InChIKeyPTTTXQDKTATEIN-UHFFFAOYSA-N
XLogP2.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S)-1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)pyrrolidin-3-yl]carbamate
CID 178183817
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
CID 103759512
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
tert-butyl N-[(3R)-1-[2-(methylamino)acetyl]pyrrolidin-3-yl]carbamate
CID 70792371

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate (CID 178203068) is tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)C23CCC(N)(CC2)C3)CC1.
What is the InChIKey of tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is PTTTXQDKTATEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-16(2,3)24-15(23)20-13-4-10-21(11-5-13)14(22)17-6-8-18(19,12-17)9-7-17/h13H,4-12,19H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-aminobicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 178203068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).