[6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone

C16H25N5O2 — CID 56913722

IUPAC[6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(NC[C@@H]2CCNC[C@H]2O)n1)N1CCCCC1
InChIInChI=1S/C16H25N5O2/c22-14-10-17-5-4-12(14)8-19-15-11-18-9-13(20-15)16(23)21-6-2-1-3-7-21/h9,11-12,14,17,22H,1-8,10H2,(H,19,20)/t12-,14+/m0/s1
InChIKeyHGFXYFZACSJWJV-GXTWGEPZSA-N
MW319.41 g/mol
LogP0.49
Rot. Bonds4

About [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone

[6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone (PubChem CID 56913722) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
PubChem CID56913722
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cncc(NC[C@@H]2CCNC[C@H]2O)n1)N1CCCCC1
InChIInChI=1S/C16H25N5O2/c22-14-10-17-5-4-12(14)8-19-15-11-18-9-13(20-15)16(23)21-6-2-1-3-7-21/h9,11-12,14,17,22H,1-8,10H2,(H,19,20)/t12-,14+/m0/s1
InChIKeyHGFXYFZACSJWJV-GXTWGEPZSA-N
XLogP0.49
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone (CID 56913722) is [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone is O=C(c1cncc(NC[C@@H]2CCNC[C@H]2O)n1)N1CCCCC1.
What is the InChIKey of [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HGFXYFZACSJWJV-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25N5O2/c22-14-10-17-5-4-12(14)8-19-15-11-18-9-13(20-15)16(23)21-6-2-1-3-7-21/h9,11-12,14,17,22H,1-8,10H2,(H,19,20)/t12-,14+/m0/s1.
What are the key properties of [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone?
[6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 319.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[(3S,4S)-3-hydroxypiperidin-4-yl]methylamino]pyrazin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56913722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).