(2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one

C15H20N4O2 — CID 16662085

IUPAC(2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one
SMILESC[C@H](O)C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C15H20N4O2/c1-10(20)15(21)19-6-4-12(5-7-19)17-13-2-3-14-11(8-13)9-16-18-14/h2-3,8-10,12,17,20H,4-7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyAJJCOMDYWQVLKY-JTQLQIEISA-N
MW288.35 g/mol
LogP1.35
Rot. Bonds3

About (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one

(2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 16662085) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one
PubChem CID16662085
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one
SMILESC[C@H](O)C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C15H20N4O2/c1-10(20)15(21)19-6-4-12(5-7-19)17-13-2-3-14-11(8-13)9-16-18-14/h2-3,8-10,12,17,20H,4-7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyAJJCOMDYWQVLKY-JTQLQIEISA-N
XLogP1.35
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one (CID 16662085) is (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one is C[C@H](O)C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is AJJCOMDYWQVLKY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(20)15(21)19-6-4-12(5-7-19)17-13-2-3-14-11(8-13)9-16-18-14/h2-3,8-10,12,17,20H,4-7H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one?
(2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 16662085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).