3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide

C26H34FN3O — CID 118302888

IUPAC3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H34FN3O/c1-28-25(31)11-14-30-15-12-26(13-16-30,18-20-7-9-22(27)10-8-20)19-29-24-17-23(24)21-5-3-2-4-6-21/h2-10,23-24,29H,11-19H2,1H3,(H,28,31)/t23?,24-/m1/s1
InChIKeyAYCNDLUXBOFLHY-XMMISQBUSA-N
MW423.58 g/mol
LogP3.73
Rot. Bonds9

About 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide

3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide (PubChem CID 118302888) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
PubChem CID118302888
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C26H34FN3O/c1-28-25(31)11-14-30-15-12-26(13-16-30,18-20-7-9-22(27)10-8-20)19-29-24-17-23(24)21-5-3-2-4-6-21/h2-10,23-24,29H,11-19H2,1H3,(H,28,31)/t23?,24-/m1/s1
InChIKeyAYCNDLUXBOFLHY-XMMISQBUSA-N
XLogP3.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide (CID 118302888) is 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCC(CN[C@@H]2CC2c2ccccc2)(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
The InChIKey is AYCNDLUXBOFLHY-XMMISQBUSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-28-25(31)11-14-30-15-12-26(13-16-30,18-20-7-9-22(27)10-8-20)19-29-24-17-23(24)21-5-3-2-4-6-21/h2-10,23-24,29H,11-19H2,1H3,(H,28,31)/t23?,24-/m1/s1.
What are the key properties of 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide?
3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide has a molecular weight of 423.58 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methyl]-4-[[[(1R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 118302888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).