N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

C27H30FN3O2 — CID 110226600

IUPACN-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1ccccn1)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C27H30FN3O2/c1-20(32)30-27(26-7-2-3-14-29-26)23-12-15-31(16-13-23)18-21-8-10-25(11-9-21)33-19-22-5-4-6-24(28)17-22/h2-11,14,17,23,27H,12-13,15-16,18-19H2,1H3,(H,30,32)
InChIKeyKGRBPQVNTSPHGF-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.89
Rot. Bonds8

About N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide

N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (PubChem CID 110226600) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.

Molecular Properties

Compound NameN-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
PubChem CID110226600
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC NameN-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
SMILESCC(=O)NC(c1ccccn1)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1
InChIInChI=1S/C27H30FN3O2/c1-20(32)30-27(26-7-2-3-14-29-26)23-12-15-31(16-13-23)18-21-8-10-25(11-9-21)33-19-22-5-4-6-24(28)17-22/h2-11,14,17,23,27H,12-13,15-16,18-19H2,1H3,(H,30,32)
InChIKeyKGRBPQVNTSPHGF-UHFFFAOYSA-N
XLogP4.89
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]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-[pyridin-2-yl-[1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 110226608
N-[(S)-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2-phenylacetamide
CID 92574484
3-fluoro-N-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228651
N-[pyridin-2-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 110226572
N-[(R)-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-3-fluorobenzamide
CID 92577278
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
N-[(S)-[1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550278
2-phenyl-N-[(S)-pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 92574491
2-phenyl-N-[pyridin-2-yl-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 110228582
N-[(R)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]-2,2-dimethylpropanamide
CID 92552014
2-cyclopentyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 110228643
3-fluoro-N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]benzamide
CID 110228605

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The IUPAC name of N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide (CID 110226600) is N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide.
What is the SMILES notation for N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The canonical SMILES for N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is CC(=O)NC(c1ccccn1)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1.
What is the InChIKey of N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
The InChIKey is KGRBPQVNTSPHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-20(32)30-27(26-7-2-3-14-29-26)23-12-15-31(16-13-23)18-21-8-10-25(11-9-21)33-19-22-5-4-6-24(28)17-22/h2-11,14,17,23,27H,12-13,15-16,18-19H2,1H3,(H,30,32).
What are the key properties of N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide?
N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide has a molecular weight of 447.55 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide is sourced from PubChem (CID 110226600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).