2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide

C21H25FN2O — CID 16895768

IUPAC2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)21(25)23-16-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeySDRCEBUHXDXARG-UHFFFAOYSA-N
MW340.44 g/mol
LogP3.51
Rot. Bonds6

About 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide

2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide (PubChem CID 16895768) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
PubChem CID16895768
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(CCc2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)21(25)23-16-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25)
InChIKeySDRCEBUHXDXARG-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
2-fluoro-N-[[1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]methyl]benzamide
CID 131936819
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2-(3-fluorophenyl)-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 95302178
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]naphthalene-2-carboxamide
CID 75369445
5-amino-2-methyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]benzamide;dihydrochloride
CID 120645543
N'-(4-ethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886959
2-[4-[[(2-fluorobenzoyl)amino]methyl]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
CID 42625656

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide (CID 16895768) is 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(CCc2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is SDRCEBUHXDXARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c22-20-9-5-4-8-19(20)21(25)23-16-18-11-14-24(15-12-18)13-10-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,23,25).
What are the key properties of 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide?
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 340.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 16895768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).