[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

C16H20N4O2 — CID 56877456

IUPAC[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCO[C@H]1CN(C(=O)c2ccc(-c3ccn[nH]3)cc2)CC[C@H]1N
InChIInChI=1S/C16H20N4O2/c1-22-15-10-20(9-7-13(15)17)16(21)12-4-2-11(3-5-12)14-6-8-18-19-14/h2-6,8,13,15H,7,9-10,17H2,1H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyUXRLGSMVRIBVPM-HIFRSBDPSA-N
MW300.36 g/mol
LogP1.26
Rot. Bonds3

About [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone

[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (PubChem CID 56877456) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
PubChem CID56877456
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
SMILESCO[C@H]1CN(C(=O)c2ccc(-c3ccn[nH]3)cc2)CC[C@H]1N
InChIInChI=1S/C16H20N4O2/c1-22-15-10-20(9-7-13(15)17)16(21)12-4-2-11(3-5-12)14-6-8-18-19-14/h2-6,8,13,15H,7,9-10,17H2,1H3,(H,18,19)/t13-,15+/m1/s1
InChIKeyUXRLGSMVRIBVPM-HIFRSBDPSA-N
XLogP1.26
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The IUPAC name of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone (CID 56877456) is [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The canonical SMILES for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is CO[C@H]1CN(C(=O)c2ccc(-c3ccn[nH]3)cc2)CC[C@H]1N.
What is the InChIKey of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
The InChIKey is UXRLGSMVRIBVPM-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-15-10-20(9-7-13(15)17)16(21)12-4-2-11(3-5-12)14-6-8-18-19-14/h2-6,8,13,15H,7,9-10,17H2,1H3,(H,18,19)/t13-,15+/m1/s1.
What are the key properties of [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone?
[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone has a molecular weight of 300.36 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 56877456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).