N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide

C19H27FN4O2 — CID 156540514

IUPACN-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
SMILESCCN(CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1)C(=O)C(C)O
InChIInChI=1S/C19H27FN4O2/c1-3-24(19(26)13(2)25)11-10-23-8-6-14(7-9-23)18-16-5-4-15(20)12-17(16)21-22-18/h4-5,12-14,25H,3,6-11H2,1-2H3,(H,21,22)
InChIKeyIZDPQORVZYGVRT-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.11
Rot. Bonds6

About N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide

N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide (PubChem CID 156540514) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
PubChem CID156540514
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide
SMILESCCN(CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1)C(=O)C(C)O
InChIInChI=1S/C19H27FN4O2/c1-3-24(19(26)13(2)25)11-10-23-8-6-14(7-9-23)18-16-5-4-15(20)12-17(16)21-22-18/h4-5,12-14,25H,3,6-11H2,1-2H3,(H,21,22)
InChIKeyIZDPQORVZYGVRT-UHFFFAOYSA-N
XLogP2.11
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide (CID 156540514) is N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide is CCN(CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1)C(=O)C(C)O.
What is the InChIKey of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
The InChIKey is IZDPQORVZYGVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-3-24(19(26)13(2)25)11-10-23-8-6-14(7-9-23)18-16-5-4-15(20)12-17(16)21-22-18/h4-5,12-14,25H,3,6-11H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide?
N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide has a molecular weight of 362.45 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 156540514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).