[(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate

C11H16N4O2 — CID 90281048

IUPAC[(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
SMILESNC(=O)O[C@]1(c2ccncc2N)CCCNC1
InChIInChI=1S/C11H16N4O2/c12-9-6-14-5-2-8(9)11(17-10(13)16)3-1-4-15-7-11/h2,5-6,15H,1,3-4,7,12H2,(H2,13,16)/t11-/m1/s1
InChIKeySRKKLWXFBHVCGF-LLVKDONJSA-N
MW236.27 g/mol
LogP0.34
Rot. Bonds2

About [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate

[(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate (PubChem CID 90281048) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
PubChem CID90281048
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
SMILESNC(=O)O[C@]1(c2ccncc2N)CCCNC1
InChIInChI=1S/C11H16N4O2/c12-9-6-14-5-2-8(9)11(17-10(13)16)3-1-4-15-7-11/h2,5-6,15H,1,3-4,7,12H2,(H2,13,16)/t11-/m1/s1
InChIKeySRKKLWXFBHVCGF-LLVKDONJSA-N
XLogP0.34
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
The IUPAC name of [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate (CID 90281048) is [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate.
What is the SMILES notation for [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
The canonical SMILES for [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate is NC(=O)O[C@]1(c2ccncc2N)CCCNC1.
What is the InChIKey of [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
The InChIKey is SRKKLWXFBHVCGF-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-9-6-14-5-2-8(9)11(17-10(13)16)3-1-4-15-7-11/h2,5-6,15H,1,3-4,7,12H2,(H2,13,16)/t11-/m1/s1.
What are the key properties of [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
[(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate is sourced from PubChem (CID 90281048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).