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

C19H27FN4O — CID 156552391

IUPACN-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CC)CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C19H27FN4O/c1-3-18(25)24(4-2)12-11-23-9-7-14(8-10-23)19-16-6-5-15(20)13-17(16)21-22-19/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22)
InChIKeyXDVPJCLEZPQSCR-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.14
Rot. Bonds6

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

N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide (PubChem CID 156552391) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide
PubChem CID156552391
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC NameN-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide
SMILESCCC(=O)N(CC)CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1
InChIInChI=1S/C19H27FN4O/c1-3-18(25)24(4-2)12-11-23-9-7-14(8-10-23)19-16-6-5-15(20)13-17(16)21-22-19/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22)
InChIKeyXDVPJCLEZPQSCR-UHFFFAOYSA-N
XLogP3.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]propanamide?
The IUPAC name of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide (CID 156552391) is N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide.
What is the SMILES notation for N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide?
The canonical SMILES for N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide is CCC(=O)N(CC)CCN1CCC(c2[nH]nc3cc(F)ccc23)CC1.
What is the InChIKey of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide?
The InChIKey is XDVPJCLEZPQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-3-18(25)24(4-2)12-11-23-9-7-14(8-10-23)19-16-6-5-15(20)13-17(16)21-22-19/h5-6,13-14H,3-4,7-12H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide?
N-ethyl-N-[2-[4-(6-fluoro-2H-indazol-3-yl)piperidin-1-yl]ethyl]propanamide has a molecular weight of 346.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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]propanamide is sourced from PubChem (CID 156552391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).