[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate

C10H13ClN4O3 — CID 175183971

IUPAC[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate
SMILESNC(=O)O[C@H]1CCN(c2cnc(Cl)cn2)C[C@@H]1O
InChIInChI=1S/C10H13ClN4O3/c11-8-3-14-9(4-13-8)15-2-1-7(6(16)5-15)18-10(12)17/h3-4,6-7,16H,1-2,5H2,(H2,12,17)/t6-,7-/m0/s1
InChIKeyXMKXURNLCIPKPA-BQBZGAKWSA-N
MW272.69 g/mol
LogP0.16
Rot. Bonds2

About [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate

[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate (PubChem CID 175183971) has the molecular formula C10H13ClN4O3 and a molecular weight of 272.69 g/mol. Its IUPAC name is [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate
PubChem CID175183971
Molecular FormulaC10H13ClN4O3
Molecular Weight272.69 g/mol
Exact Mass272.07
IUPAC Name[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate
SMILESNC(=O)O[C@H]1CCN(c2cnc(Cl)cn2)C[C@@H]1O
InChIInChI=1S/C10H13ClN4O3/c11-8-3-14-9(4-13-8)15-2-1-7(6(16)5-15)18-10(12)17/h3-4,6-7,16H,1-2,5H2,(H2,12,17)/t6-,7-/m0/s1
InChIKeyXMKXURNLCIPKPA-BQBZGAKWSA-N
XLogP0.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416146
(3R)-1-(5-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 129416138
[(3S,4S)-1-[5-(3-chloro-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl] carbamate
CID 175200669
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
[3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 163209145
2-(5-chloropyrazin-2-yl)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 155406135
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
5-[(3S)-3-hydroxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 104696756
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate?
The IUPAC name of [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate (CID 175183971) is [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate.
What is the SMILES notation for [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate?
The canonical SMILES for [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate is NC(=O)O[C@H]1CCN(c2cnc(Cl)cn2)C[C@@H]1O.
What is the InChIKey of [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate?
The InChIKey is XMKXURNLCIPKPA-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H13ClN4O3/c11-8-3-14-9(4-13-8)15-2-1-7(6(16)5-15)18-10(12)17/h3-4,6-7,16H,1-2,5H2,(H2,12,17)/t6-,7-/m0/s1.
What are the key properties of [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate?
[(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate has a molecular weight of 272.69 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-(5-chloropyrazin-2-yl)-3-hydroxypiperidin-4-yl] carbamate is sourced from PubChem (CID 175183971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).