N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide

C21H25FN3O2+ — CID 2534255

IUPACN-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C21H24FN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)24-17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,26)/p+1
InChIKeyAJEULKUYXOLHDN-UHFFFAOYSA-O
MW370.45 g/mol
LogP0.92
Rot. Bonds6

About N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 2534255) has the molecular formula C21H25FN3O2+ and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID2534255
Molecular FormulaC21H25FN3O2+
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C21H24FN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)24-17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,26)/p+1
InChIKeyAJEULKUYXOLHDN-UHFFFAOYSA-O
XLogP0.92
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-bromophenyl)acetamide
CID 9208935
2-fluoro-N-[2-oxo-2-[2-(2-phenylacetyl)hydrazinyl]ethyl]benzamide
CID 24637562
N-[2-(cyclohexylamino)-2-oxoethyl]-2-fluoro-5-phenylbenzamide
CID 110625209
2-fluoro-N-[2-[[2-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]benzamide
CID 103856998
ethyl 1-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8773087
[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-[(1R)-1-(3,4-difluorophenyl)ethyl]azanium
CID 8639286
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3,3-diphenylpropanamide
CID 8909675
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771167
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 17394400
2-fluoro-N-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]benzamide
CID 9216438

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide (CID 2534255) is N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NC1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is AJEULKUYXOLHDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24FN3O2/c22-19-9-5-4-8-18(19)21(27)23-14-20(26)24-17-10-12-25(13-11-17)15-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,27)(H,24,26)/p+1.
What are the key properties of N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 370.45 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzylpiperidin-1-ium-4-yl)amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 2534255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).