(2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone

C20H22N4O2 — CID 16662086

IUPAC(2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1
InChIKeyAEBNQBMNALVGPB-LJQANCHMSA-N
MW350.42 g/mol
LogP2.70
Rot. Bonds4

About (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone

(2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone (PubChem CID 16662086) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
PubChem CID16662086
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone
SMILESO=C([C@H](O)c1ccccc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1
InChIKeyAEBNQBMNALVGPB-LJQANCHMSA-N
XLogP2.70
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone (CID 16662086) is (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone is O=C([C@H](O)c1ccccc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
The InChIKey is AEBNQBMNALVGPB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-19(14-4-2-1-3-5-14)20(26)24-10-8-16(9-11-24)22-17-6-7-18-15(12-17)13-21-23-18/h1-7,12-13,16,19,22,25H,8-11H2,(H,21,23)/t19-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone?
(2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone has a molecular weight of 350.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 16662086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).