tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate

C14H27N3O2 — CID 86317598

IUPACtert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN([C@H]2CCCNC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-7-11-9-17(10-11)12-5-4-6-15-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyINADAXASGPTAFL-LBPRGKRZSA-N
MW269.39 g/mol
LogP1.19
Rot. Bonds3

About tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate

tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate (PubChem CID 86317598) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate
PubChem CID86317598
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Nametert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CN([C@H]2CCCNC2)C1
InChIInChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-7-11-9-17(10-11)12-5-4-6-15-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyINADAXASGPTAFL-LBPRGKRZSA-N
XLogP1.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1-cyclobutylpiperidin-4-yl)methyl]carbamate
CID 53256365
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-[2,2-difluoro-3-(piperidin-3-ylmethylamino)propyl]carbamate
CID 107257390
tert-butyl N-(azetidin-3-ylmethyl)carbamate;tert-butyl N-[(1-methylsulfonylazetidin-3-yl)methyl]carbamate;(1-methylsulfonylazetidin-3-yl)methanamine
CID 164971906
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[(4-cyclopentylpiperidin-3-yl)methyl]carbamate
CID 84812476
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate (CID 86317598) is tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CN([C@H]2CCCNC2)C1.
What is the InChIKey of tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate?
The InChIKey is INADAXASGPTAFL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-14(2,3)19-13(18)16-7-11-9-17(10-11)12-5-4-6-15-8-12/h11-12,15H,4-10H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate?
tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate has a molecular weight of 269.39 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[(3S)-piperidin-3-yl]azetidin-3-yl]methyl]carbamate is sourced from PubChem (CID 86317598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).