N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide

C22H26FN3O3 — CID 24792419

IUPACN-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-19-8-6-16(7-9-19)22(28)25-18-10-12-26(13-11-18)15-21(27)24-14-17-4-2-3-5-20(17)23/h2-9,18H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyLZDDVBUMYAYSEY-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.34
Rot. Bonds7

About N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide

N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide (PubChem CID 24792419) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide
PubChem CID24792419
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC NameN-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-19-8-6-16(7-9-19)22(28)25-18-10-12-26(13-11-18)15-21(27)24-14-17-4-2-3-5-20(17)23/h2-9,18H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyLZDDVBUMYAYSEY-UHFFFAOYSA-N
XLogP2.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide (CID 24792419) is N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CCN(CC(=O)NCc3ccccc3F)CC2)cc1.
What is the InChIKey of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide?
The InChIKey is LZDDVBUMYAYSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-29-19-8-6-16(7-9-19)22(28)25-18-10-12-26(13-11-18)15-21(27)24-14-17-4-2-3-5-20(17)23/h2-9,18H,10-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide?
N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide has a molecular weight of 399.47 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 24792419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).