tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate

C14H27N3O2 — CID 52911112

IUPACtert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCCNC1)C1CNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-12(11-8-16-9-11)10-5-4-6-15-7-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)
InChIKeyCBKOTQQGTWHOEF-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate

tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate (PubChem CID 52911112) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
PubChem CID52911112
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(C1CCCNC1)C1CNC1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-12(11-8-16-9-11)10-5-4-6-15-7-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18)
InChIKeyCBKOTQQGTWHOEF-UHFFFAOYSA-N
XLogP1.10
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl N-[(3S)-azepan-3-yl]carbamate;tert-butyl N-[(3R)-azepan-3-yl]carbamate;tert-butyl N-[(4S)-azepan-4-yl]carbamate;tert-butyl N-[(4R)-azepan-4-yl]carbamate;tert-butyl N-[(3S)-piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;tert-butyl N-[(3S)-pyrrolidin-3-yl]carbamate;tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate;3-methylazetidine
CID 157216314
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
CID 135392522
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(piperidin-3-ylamino)butanoate
CID 70113833
tert-butyl N-(2-methyl-2-nitroso-1-pyrrolidin-3-ylpropyl)carbamate
CID 143050609
tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate
CID 90190140
tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
CID 50987936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate (CID 52911112) is tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NC(C1CCCNC1)C1CNC1.
What is the InChIKey of tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate?
The InChIKey is CBKOTQQGTWHOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)17-12(11-8-16-9-11)10-5-4-6-15-7-10/h10-12,15-16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate?
tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate is sourced from PubChem (CID 52911112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).