[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate

C11H16N4O2 — CID 90281047

IUPAC[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CCCN(c2ccncc2N)C1
InChIInChI=1S/C11H16N4O2/c12-9-6-14-4-3-10(9)15-5-1-2-8(7-15)17-11(13)16/h3-4,6,8H,1-2,5,7,12H2,(H2,13,16)/t8-/m0/s1
InChIKeyJUZQYKGPPQCVOR-QMMMGPOBSA-N
MW236.27 g/mol
LogP0.73
Rot. Bonds2

About [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate

[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate (PubChem CID 90281047) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
PubChem CID90281047
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate
SMILESNC(=O)O[C@H]1CCCN(c2ccncc2N)C1
InChIInChI=1S/C11H16N4O2/c12-9-6-14-4-3-10(9)15-5-1-2-8(7-15)17-11(13)16/h3-4,6,8H,1-2,5,7,12H2,(H2,13,16)/t8-/m0/s1
InChIKeyJUZQYKGPPQCVOR-QMMMGPOBSA-N
XLogP0.73
TPSA94.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] N-tert-butylcarbamate
CID 174794058
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
4-(azetidin-1-yl)pyridin-3-amine
CID 115011771
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridin-3-amine
CID 79940469
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-amine
CID 90205773
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclopentylmethanone
CID 43462423
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-cyclobutylmethanone
CID 43462424
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
1-(3-amino-4-pyridinyl)-4-methylpiperidin-3-ol
CID 102955442
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridin-3-amine
CID 81197311
[(3S)-1-(5-amino-2,3-dihydrofuro[2,3-b]pyridin-4-yl)piperidin-3-yl] carbamate
CID 90281112
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
The IUPAC name of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate (CID 90281047) is [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate.
What is the SMILES notation for [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
The canonical SMILES for [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate is NC(=O)O[C@H]1CCCN(c2ccncc2N)C1.
What is the InChIKey of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
The InChIKey is JUZQYKGPPQCVOR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-9-6-14-4-3-10(9)15-5-1-2-8(7-15)17-11(13)16/h3-4,6,8H,1-2,5,7,12H2,(H2,13,16)/t8-/m0/s1.
What are the key properties of [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate?
[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate has a molecular weight of 236.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl] carbamate is sourced from PubChem (CID 90281047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).