N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride

C22H27ClFN3O2 — CID 23724353

IUPACN-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1C.Cl
InChIInChI=1S/C22H26FN3O2.ClH/c1-15-7-8-18(13-16(15)2)24-21(27)14-26-11-9-17(10-12-26)25-22(28)19-5-3-4-6-20(19)23;/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)(H,25,28);1H
InChIKeyRDDKQGARHDOKRF-UHFFFAOYSA-N
MW419.93 g/mol
LogP3.70
Rot. Bonds5

About N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride

N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride (PubChem CID 23724353) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
PubChem CID23724353
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC NameN-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride
SMILESCc1ccc(NC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1C.Cl
InChIInChI=1S/C22H26FN3O2.ClH/c1-15-7-8-18(13-16(15)2)24-21(27)14-26-11-9-17(10-12-26)25-22(28)19-5-3-4-6-20(19)23;/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)(H,25,28);1H
InChIKeyRDDKQGARHDOKRF-UHFFFAOYSA-N
XLogP3.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-[2-(3-fluoroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 60508520
N-[1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide
CID 3220947
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909878
N-cyclopropyl-3-[[2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 30704619
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 3221014
N-(3,4-dimethylphenyl)-2-piperazin-1-ylacetamide;hydrochloride
CID 132965081
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-2-fluorobenzamide
CID 99468805

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride?
The IUPAC name of N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride (CID 23724353) is N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride is Cc1ccc(NC(=O)CN2CCC(NC(=O)c3ccccc3F)CC2)cc1C.Cl.
What is the InChIKey of N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride?
The InChIKey is RDDKQGARHDOKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2.ClH/c1-15-7-8-18(13-16(15)2)24-21(27)14-26-11-9-17(10-12-26)25-22(28)19-5-3-4-6-20(19)23;/h3-8,13,17H,9-12,14H2,1-2H3,(H,24,27)(H,25,28);1H.
What are the key properties of N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride?
N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride has a molecular weight of 419.93 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidin-4-yl]-2-fluorobenzamide;hydrochloride is sourced from PubChem (CID 23724353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).