[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate

C14H19N7O2 — CID 90281505

IUPAC[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate
SMILESC[C@H]1CN(c2ccncc2N)C[C@@H](OC(N)=O)[C@H]1n1ccnn1
InChIInChI=1S/C14H19N7O2/c1-9-7-20(11-2-3-17-6-10(11)15)8-12(23-14(16)22)13(9)21-5-4-18-19-21/h2-6,9,12-13H,7-8,15H2,1H3,(H2,16,22)/t9-,12+,13-/m0/s1
InChIKeyJAWDVUUHWYYREZ-BIMULSAOSA-N
MW317.35 g/mol
LogP0.42
Rot. Bonds3

About [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate

[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate (PubChem CID 90281505) has the molecular formula C14H19N7O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate
PubChem CID90281505
Molecular FormulaC14H19N7O2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Name[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate
SMILESC[C@H]1CN(c2ccncc2N)C[C@@H](OC(N)=O)[C@H]1n1ccnn1
InChIInChI=1S/C14H19N7O2/c1-9-7-20(11-2-3-17-6-10(11)15)8-12(23-14(16)22)13(9)21-5-4-18-19-21/h2-6,9,12-13H,7-8,15H2,1H3,(H2,16,22)/t9-,12+,13-/m0/s1
InChIKeyJAWDVUUHWYYREZ-BIMULSAOSA-N
XLogP0.42
TPSA125.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate?
The IUPAC name of [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate (CID 90281505) is [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate.
What is the SMILES notation for [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate?
The canonical SMILES for [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate is C[C@H]1CN(c2ccncc2N)C[C@@H](OC(N)=O)[C@H]1n1ccnn1.
What is the InChIKey of [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate?
The InChIKey is JAWDVUUHWYYREZ-BIMULSAOSA-N. The full InChI is InChI=1S/C14H19N7O2/c1-9-7-20(11-2-3-17-6-10(11)15)8-12(23-14(16)22)13(9)21-5-4-18-19-21/h2-6,9,12-13H,7-8,15H2,1H3,(H2,16,22)/t9-,12+,13-/m0/s1.
What are the key properties of [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate?
[(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate has a molecular weight of 317.35 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl] carbamate is sourced from PubChem (CID 90281505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).