1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C22H34FN3O2 — CID 56744997

IUPAC1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3cccc(F)c3C)CC2)C1
InChIInChI=1S/C22H34FN3O2/c1-17-18(5-3-7-21(17)23)15-25-12-8-20(9-13-25)26-11-4-6-19(16-26)22(27)24-10-14-28-2/h3,5,7,19-20H,4,6,8-16H2,1-2H3,(H,24,27)
InChIKeyMCYNVDXPQWFYJZ-UHFFFAOYSA-N
MW391.53 g/mol
LogP2.57
Rot. Bonds7

About 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 56744997) has the molecular formula C22H34FN3O2 and a molecular weight of 391.53 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID56744997
Molecular FormulaC22H34FN3O2
Molecular Weight391.53 g/mol
Exact Mass391.26
IUPAC Name1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCCN(C2CCN(Cc3cccc(F)c3C)CC2)C1
InChIInChI=1S/C22H34FN3O2/c1-17-18(5-3-7-21(17)23)15-25-12-8-20(9-13-25)26-11-4-6-19(16-26)22(27)24-10-14-28-2/h3,5,7,19-20H,4,6,8-16H2,1-2H3,(H,24,27)
InChIKeyMCYNVDXPQWFYJZ-UHFFFAOYSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56758609
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
(3S)-1-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95188586
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56756459
1-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56745532
N-(2-methoxyethyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 56759926
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
(3S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95394404
(3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95206919

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 56744997) is 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCCN(C2CCN(Cc3cccc(F)c3C)CC2)C1.
What is the InChIKey of 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is MCYNVDXPQWFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN3O2/c1-17-18(5-3-7-21(17)23)15-25-12-8-20(9-13-25)26-11-4-6-19(16-26)22(27)24-10-14-28-2/h3,5,7,19-20H,4,6,8-16H2,1-2H3,(H,24,27).
What are the key properties of 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 391.53 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56744997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).