tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate

C15H29N3O2 — CID 124909009

IUPACtert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(C2CCNCC2)C1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-12-5-4-10-18(11-12)13-6-8-16-9-7-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyXEWWLMCXBOZEOK-LBPRGKRZSA-N
MW283.42 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate

tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate (PubChem CID 124909009) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
PubChem CID124909009
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN(C2CCNCC2)C1
InChIInChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-12-5-4-10-18(11-12)13-6-8-16-9-7-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyXEWWLMCXBOZEOK-LBPRGKRZSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate (CID 124909009) is tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCN(C2CCNCC2)C1.
What is the InChIKey of tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate?
The InChIKey is XEWWLMCXBOZEOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-15(2,3)20-14(19)17-12-5-4-10-18(11-12)13-6-8-16-9-7-13/h12-13,16H,4-11H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate has a molecular weight of 283.42 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 124909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).