N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide

C23H32FN5O2 — CID 110217989

IUPACN-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1
InChIInChI=1S/C23H32FN5O2/c1-17(29-11-13-31-14-12-29)23(30)25-18-7-9-28(10-8-18)16-19-15-22(26-27(19)2)20-5-3-4-6-21(20)24/h3-6,15,17-18H,7-14,16H2,1-2H3,(H,25,30)
InChIKeyOHMLQRAVOZVYGK-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.03
Rot. Bonds6

About N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide

N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide (PubChem CID 110217989) has the molecular formula C23H32FN5O2 and a molecular weight of 429.54 g/mol. Its IUPAC name is N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide
PubChem CID110217989
Molecular FormulaC23H32FN5O2
Molecular Weight429.54 g/mol
Exact Mass429.25
IUPAC NameN-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1
InChIInChI=1S/C23H32FN5O2/c1-17(29-11-13-31-14-12-29)23(30)25-18-7-9-28(10-8-18)16-19-15-22(26-27(19)2)20-5-3-4-6-21(20)24/h3-6,15,17-18H,7-14,16H2,1-2H3,(H,25,30)
InChIKeyOHMLQRAVOZVYGK-UHFFFAOYSA-N
XLogP2.03
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide (CID 110217989) is N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide is CC(C(=O)NC1CCN(Cc2cc(-c3ccccc3F)nn2C)CC1)N1CCOCC1.
What is the InChIKey of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide?
The InChIKey is OHMLQRAVOZVYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN5O2/c1-17(29-11-13-31-14-12-29)23(30)25-18-7-9-28(10-8-18)16-19-15-22(26-27(19)2)20-5-3-4-6-21(20)24/h3-6,15,17-18H,7-14,16H2,1-2H3,(H,25,30).
What are the key properties of N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide?
N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide has a molecular weight of 429.54 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methyl]piperidin-4-yl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 110217989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).