2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

C22H26FN3O3 — CID 3221014

IUPAC2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-18-8-6-16(7-9-18)14-24-21(27)15-26-12-10-17(11-13-26)25-22(28)19-4-2-3-5-20(19)23/h2-9,17H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyBRMSUELQVKOPIK-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.34
Rot. Bonds7

About 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 3221014) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID3221014
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C22H26FN3O3/c1-29-18-8-6-16(7-9-18)14-24-21(27)15-26-12-10-17(11-13-26)25-22(28)19-4-2-3-5-20(19)23/h2-9,17H,10-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyBRMSUELQVKOPIK-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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Related Compounds

N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
N-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidin-4-yl]-2-methylbenzamide
CID 1445052
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
4-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 43814081
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 136580152
2-fluoro-N-[9-[(4-methoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 43813940
N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
CID 23724353
2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 60508520
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 3221014) is 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is COc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is BRMSUELQVKOPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-29-18-8-6-16(7-9-18)14-24-21(27)15-26-12-10-17(11-13-26)25-22(28)19-4-2-3-5-20(19)23/h2-9,17H,10-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide 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 2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 3221014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).