N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide

C23H23FN2O — CID 2729098

IUPACN-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1
InChIInChI=1S/C23H23FN2O/c24-21-9-8-19-14-17(6-7-20(19)15-21)16-26-12-10-22(11-13-26)25-23(27)18-4-2-1-3-5-18/h1-9,14-15,22H,10-13,16H2,(H,25,27)
InChIKeyKMIVFOQFRIPVDV-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.37
Rot. Bonds4

About N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide

N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide (PubChem CID 2729098) has the molecular formula C23H23FN2O and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide
PubChem CID2729098
Molecular FormulaC23H23FN2O
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC NameN-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1
InChIInChI=1S/C23H23FN2O/c24-21-9-8-19-14-17(6-7-20(19)15-21)16-26-12-10-22(11-13-26)25-23(27)18-4-2-1-3-5-18/h1-9,14-15,22H,10-13,16H2,(H,25,27)
InChIKeyKMIVFOQFRIPVDV-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-dicyclohexyl-2,6-naphthalenedicarboxamide
CID 21987656
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
3-Azatricyclo[7.3.1.0,5,13]trideca-1(12),5(13),6,8,10-pentaen-2-one
CID 10130246
N-(2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl)-[1,1'-biphenyl]-4-carboxamide
CID 46673962
2-Naphthalenyl-1-piperidinylmethanone
CID 593461
Azonafide
CID 9948896
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
N-(1-benzylpiperidin-4-yl)naphthalene-2-carboxamide
CID 16725912
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 35295787
N-[1-(2-phenylethyl)piperidin-4-yl]naphthalene-2-carboxamide
CID 35296170
(S)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11220185
(R)-N-isobutyl-N-(pyrrolidin-3-yl)-2-naphthamide
CID 11323940

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide (CID 2729098) is N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide is O=C(NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide?
The InChIKey is KMIVFOQFRIPVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O/c24-21-9-8-19-14-17(6-7-20(19)15-21)16-26-12-10-22(11-13-26)25-23(27)18-4-2-1-3-5-18/h1-9,14-15,22H,10-13,16H2,(H,25,27).
What are the key properties of N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide?
N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide has a molecular weight of 362.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-fluoronaphthalen-2-yl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 2729098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).