N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide

C22H27FN2O2 — CID 42566664

IUPACN-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCN(Cc2cccc(O)c2)C1)NCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c23-21-9-2-1-7-19(21)14-24-22(27)11-10-17-6-4-12-25(15-17)16-18-5-3-8-20(26)13-18/h1-3,5,7-9,13,17,26H,4,6,10-12,14-16H2,(H,24,27)/t17-/m1/s1
InChIKeyXZYSWGNEUXGSOH-QGZVFWFLSA-N
MW370.47 g/mol
LogP3.84
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 42566664) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID42566664
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCN(Cc2cccc(O)c2)C1)NCc1ccccc1F
InChIInChI=1S/C22H27FN2O2/c23-21-9-2-1-7-19(21)14-24-22(27)11-10-17-6-4-12-25(15-17)16-18-5-3-8-20(26)13-18/h1-3,5,7-9,13,17,26H,4,6,10-12,14-16H2,(H,24,27)/t17-/m1/s1
InChIKeyXZYSWGNEUXGSOH-QGZVFWFLSA-N
XLogP3.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide 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-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42310327
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686
N-[(2-chlorophenyl)methyl]-3-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45248790
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 45211190
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45211158
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
3-[(3S,4R)-1-benzyl-4-morpholin-4-ylpiperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 28739752
3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 97275855
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
3-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 45183538

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide (CID 42566664) is N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide is O=C(CC[C@H]1CCCN(Cc2cccc(O)c2)C1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is XZYSWGNEUXGSOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H27FN2O2/c23-21-9-2-1-7-19(21)14-24-22(27)11-10-17-6-4-12-25(15-17)16-18-5-3-8-20(26)13-18/h1-3,5,7-9,13,17,26H,4,6,10-12,14-16H2,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 370.47 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42566664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).