N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride

C50H54Cl2F2N6O4 — CID 159914321

IUPACN-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride
SMILESC[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1cccc(NC(=O)c2ccc(F)cc2)n1.C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1cccc(NC(=O)c2ccc(F)cc2)n1.Cl.Cl
InChIInChI=1S/2C25H26FN3O2.2ClH/c2*1-18-16-29(17-19-6-3-2-4-7-19)15-14-22(18)31-24-9-5-8-23(27-24)28-25(30)20-10-12-21(26)13-11-20;;/h2*2-13,18,22H,14-17H2,1H3,(H,27,28,30);2*1H/t2*18-,22-;;/m10../s1
InChIKeyKSLJQOZVGKVUHV-YNQSOLKMSA-N
MW911.92 g/mol
LogP10.37
Rot. Bonds12

About N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride

N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride (PubChem CID 159914321) has the molecular formula C50H54Cl2F2N6O4 and a molecular weight of 911.92 g/mol. Its IUPAC name is N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride
PubChem CID159914321
Molecular FormulaC50H54Cl2F2N6O4
Molecular Weight911.92 g/mol
Exact Mass910.36
IUPAC NameN-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride
SMILESC[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1cccc(NC(=O)c2ccc(F)cc2)n1.C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1cccc(NC(=O)c2ccc(F)cc2)n1.Cl.Cl
InChIInChI=1S/2C25H26FN3O2.2ClH/c2*1-18-16-29(17-19-6-3-2-4-7-19)15-14-22(18)31-24-9-5-8-23(27-24)28-25(30)20-10-12-21(26)13-11-20;;/h2*2-13,18,22H,14-17H2,1H3,(H,27,28,30);2*1H/t2*18-,22-;;/m10../s1
InChIKeyKSLJQOZVGKVUHV-YNQSOLKMSA-N
XLogP10.37
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.92
LogP ≤ 510.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride 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-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
CID 163786051
6-[(4-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63643772
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
1-benzyl-4-(3-bromophenoxy)-3-methylpiperidine
CID 69069882
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
4-chloro-N-[[3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]phenyl]methyl]benzamide
CID 23108731
N-(1-benzyl-4-hydroxyazepan-3-yl)-4-[(4-fluorophenyl)methoxy]benzamide
CID 74418879
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride?
The IUPAC name of N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride (CID 159914321) is N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride.
What is the SMILES notation for N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride?
The canonical SMILES for N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride is C[C@@H]1CN(Cc2ccccc2)CC[C@H]1Oc1cccc(NC(=O)c2ccc(F)cc2)n1.C[C@H]1CN(Cc2ccccc2)CC[C@@H]1Oc1cccc(NC(=O)c2ccc(F)cc2)n1.Cl.Cl.
What is the InChIKey of N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride?
The InChIKey is KSLJQOZVGKVUHV-YNQSOLKMSA-N. The full InChI is InChI=1S/2C25H26FN3O2.2ClH/c2*1-18-16-29(17-19-6-3-2-4-7-19)15-14-22(18)31-24-9-5-8-23(27-24)28-25(30)20-10-12-21(26)13-11-20;;/h2*2-13,18,22H,14-17H2,1H3,(H,27,28,30);2*1H/t2*18-,22-;;/m10../s1.
What are the key properties of N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride?
N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride has a molecular weight of 911.92 g/mol, XLogP of 10.37, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;N-[6-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]oxy-2-pyridinyl]-4-fluorobenzamide;dihydrochloride is sourced from PubChem (CID 159914321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).