N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide

C28H35F2N3O3 — CID 118182112

IUPACN-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide
SMILESCOCC1CCCN(C2CCN(C(=O)c3ccc(C(=O)N(C)Cc4c(F)cccc4F)cc3)CC2)C1
InChIInChI=1S/C28H35F2N3O3/c1-31(18-24-25(29)6-3-7-26(24)30)27(34)21-8-10-22(11-9-21)28(35)32-15-12-23(13-16-32)33-14-4-5-20(17-33)19-36-2/h3,6-11,20,23H,4-5,12-19H2,1-2H3
InChIKeyFZRQNAZMNRICLG-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.20
Rot. Bonds7

About N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide

N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide (PubChem CID 118182112) has the molecular formula C28H35F2N3O3 and a molecular weight of 499.60 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide
PubChem CID118182112
Molecular FormulaC28H35F2N3O3
Molecular Weight499.60 g/mol
Exact Mass499.26
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide
SMILESCOCC1CCCN(C2CCN(C(=O)c3ccc(C(=O)N(C)Cc4c(F)cccc4F)cc3)CC2)C1
InChIInChI=1S/C28H35F2N3O3/c1-31(18-24-25(29)6-3-7-26(24)30)27(34)21-8-10-22(11-9-21)28(35)32-15-12-23(13-16-32)33-14-4-5-20(17-33)19-36-2/h3,6-11,20,23H,4-5,12-19H2,1-2H3
InChIKeyFZRQNAZMNRICLG-UHFFFAOYSA-N
XLogP4.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide 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-[(2,6-difluorophenyl)methyl]-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide
CID 123562114
[4-[3-(cyclobutyloxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 118163721
(3S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95527920
[3-(methoxymethyl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 90504931
(4-chloro-3-fluorophenyl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 95713393
N-ethyl-N-(2-methoxyethyl)-4-[4-(3-methylpiperidin-1-yl)piperidine-1-carbonyl]benzamide;2,2,2-trifluoroacetic acid
CID 122652145
(4-chloro-3-methylphenyl)-[4-[(3R)-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]methanone
CID 99932218
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
N-[(3-fluoro-2-pyridinyl)methyl]-4-[4-[(3R)-3-methylpiperidin-1-yl]piperidine-1-carbonyl]benzamide
CID 118182069
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
methyl 4-[4-(methoxymethyl)piperidine-1-carbonyl]benzoate
CID 121091427
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide (CID 118182112) is N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide is COCC1CCCN(C2CCN(C(=O)c3ccc(C(=O)N(C)Cc4c(F)cccc4F)cc3)CC2)C1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide?
The InChIKey is FZRQNAZMNRICLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N3O3/c1-31(18-24-25(29)6-3-7-26(24)30)27(34)21-8-10-22(11-9-21)28(35)32-15-12-23(13-16-32)33-14-4-5-20(17-33)19-36-2/h3,6-11,20,23H,4-5,12-19H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide?
N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide has a molecular weight of 499.60 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-[4-[3-(methoxymethyl)piperidin-1-yl]piperidine-1-carbonyl]-N-methylbenzamide is sourced from PubChem (CID 118182112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).