N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide

C34H37N3O3 — CID 45183797

IUPACN-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(COc3ccc(CN(C)Cc4cccc5ccccc45)cc3)C2)cc1
InChIInChI=1S/C34H37N3O3/c1-25(38)35-31-16-14-29(15-17-31)34(39)37-20-6-7-27(22-37)24-40-32-18-12-26(13-19-32)21-36(2)23-30-10-5-9-28-8-3-4-11-33(28)30/h3-5,8-19,27H,6-7,20-24H2,1-2H3,(H,35,38)
InChIKeyJMODIGLZFRMDRN-UHFFFAOYSA-N
MW535.69 g/mol
LogP6.36
Rot. Bonds9

About N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide

N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 45183797) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide
PubChem CID45183797
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC NameN-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCCC(COc3ccc(CN(C)Cc4cccc5ccccc45)cc3)C2)cc1
InChIInChI=1S/C34H37N3O3/c1-25(38)35-31-16-14-29(15-17-31)34(39)37-20-6-7-27(22-37)24-40-32-18-12-26(13-19-32)21-36(2)23-30-10-5-9-28-8-3-4-11-33(28)30/h3-5,8-19,27H,6-7,20-24H2,1-2H3,(H,35,38)
InChIKeyJMODIGLZFRMDRN-UHFFFAOYSA-N
XLogP6.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45181476
1,3-benzodioxol-5-yl-[(3R)-3-[[4-[[methyl(2-phenylethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42541920
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799
[(3R)-3-[[4-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 42471308
[3-[[4-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 45227605
[(3R)-3-[[3-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenoxy]methyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42162569
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
2-(3-methoxyphenyl)-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150064
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
2-(2-fluorophenyl)-1-[3-[[4-(piperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150037

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide (CID 45183797) is N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCCC(COc3ccc(CN(C)Cc4cccc5ccccc45)cc3)C2)cc1.
What is the InChIKey of N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is JMODIGLZFRMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-25(38)35-31-16-14-29(15-17-31)34(39)37-20-6-7-27(22-37)24-40-32-18-12-26(13-19-32)21-36(2)23-30-10-5-9-28-8-3-4-11-33(28)30/h3-5,8-19,27H,6-7,20-24H2,1-2H3,(H,35,38).
What are the key properties of N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 535.69 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[[4-[[methyl(naphthalen-1-ylmethyl)amino]methyl]phenoxy]methyl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 45183797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).