[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone

C15H19N3O2 — CID 56873093

IUPAC[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)CC[C@H]1N
InChIInChI=1S/C15H19N3O2/c1-20-14-9-18(7-6-11(14)16)15(19)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14,17H,6-7,9,16H2,1H3/t11-,14+/m1/s1
InChIKeyQMJJJVCKTPPMPV-RISCZKNCSA-N
MW273.34 g/mol
LogP1.36
Rot. Bonds2

About [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone

[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 56873093) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID56873093
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone
SMILESCO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)CC[C@H]1N
InChIInChI=1S/C15H19N3O2/c1-20-14-9-18(7-6-11(14)16)15(19)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14,17H,6-7,9,16H2,1H3/t11-,14+/m1/s1
InChIKeyQMJJJVCKTPPMPV-RISCZKNCSA-N
XLogP1.36
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone (CID 56873093) is [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone is CO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)CC[C@H]1N.
What is the InChIKey of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is QMJJJVCKTPPMPV-RISCZKNCSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-14-9-18(7-6-11(14)16)15(19)13-8-10-4-2-3-5-12(10)17-13/h2-5,8,11,14,17H,6-7,9,16H2,1H3/t11-,14+/m1/s1.
What are the key properties of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone?
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 56873093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).