N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide

C21H29FN2O — CID 11950308

IUPACN-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)C1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C21H29FN2O/c1-15(25)24(20-6-4-19(22)5-7-20)21-8-10-23(11-9-21)14-18-13-16-2-3-17(18)12-16/h4-7,16-18,21H,2-3,8-14H2,1H3
InChIKeyBIEJATDPNHTWSF-UHFFFAOYSA-N
MW344.47 g/mol
LogP4.08
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide

N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 11950308) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide
PubChem CID11950308
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide
SMILESCC(=O)N(c1ccc(F)cc1)C1CCN(CC2CC3CCC2C3)CC1
InChIInChI=1S/C21H29FN2O/c1-15(25)24(20-6-4-19(22)5-7-20)21-8-10-23(11-9-21)14-18-13-16-2-3-17(18)12-16/h4-7,16-18,21H,2-3,8-14H2,1H3
InChIKeyBIEJATDPNHTWSF-UHFFFAOYSA-N
XLogP4.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide 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-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-1-(4-fluorophenyl)-3-propylurea
CID 11951213
N-(4-fluorophenyl)-N-[1-(4-oxocyclohexyl)piperidin-4-yl]acetamide
CID 59434297
1-[1-(2-bicyclo[2.2.1]heptanyl)piperidin-4-yl]-1-(4-fluorophenyl)-3-propylurea;molecular hydrogen
CID 162143666
tert-butyl 4-(N-acetyl-4-fluoroanilino)piperidine-1-carboxylate;ethane
CID 143303337
1-(2-bicyclo[2.2.1]heptanylmethyl)-4,6-dimethyl-1,5-diazocane
CID 63687029
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-3-ol
CID 79563086
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 63682994
N-[(1R)-1'-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 59613138
2,2-dimethylpropyl 3-[4-(N-acetyl-4-fluoroanilino)piperidin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 11951745
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide (CID 11950308) is N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide is CC(=O)N(c1ccc(F)cc1)C1CCN(CC2CC3CCC2C3)CC1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is BIEJATDPNHTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-15(25)24(20-6-4-19(22)5-7-20)21-8-10-23(11-9-21)14-18-13-16-2-3-17(18)12-16/h4-7,16-18,21H,2-3,8-14H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 344.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanylmethyl)piperidin-4-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 11950308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).