2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide

C22H26FN3O3 — CID 42851947

IUPAC2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O3/c1-15-6-7-19(21(27)24-10-13-29-2)20(25-15)16-8-11-26(12-9-16)22(28)17-4-3-5-18(23)14-17/h3-7,14,16H,8-13H2,1-2H3,(H,24,27)
InChIKeyUKLKCYLVMBRMTO-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide

2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide (PubChem CID 42851947) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
PubChem CID42851947
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H26FN3O3/c1-15-6-7-19(21(27)24-10-13-29-2)20(25-15)16-8-11-26(12-9-16)22(28)17-4-3-5-18(23)14-17/h3-7,14,16H,8-13H2,1-2H3,(H,24,27)
InChIKeyUKLKCYLVMBRMTO-UHFFFAOYSA-N
XLogP2.93
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.93
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

(3-fluorophenyl)-[4-[6-methyl-3-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 42852061
N-[(4-fluorophenyl)methyl]-2-[1-(3-methoxybenzoyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 42852023
N-benzyl-2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N,6-dimethylpyridine-3-carboxamide
CID 42852096
2-[1-(3-bromobenzoyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46068949
N-(2-methoxyethyl)-6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]pyridine-3-carboxamide
CID 42868008
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46069014
2-[1-(3,5-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 46069044
2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42868055
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42852218
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42868016
2-(1-benzoylpiperidin-4-yl)-6-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46044678
[4-[3-[4-(2-methoxyethyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42867342

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide (CID 42851947) is 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide is COCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
The InChIKey is UKLKCYLVMBRMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c1-15-6-7-19(21(27)24-10-13-29-2)20(25-15)16-8-11-26(12-9-16)22(28)17-4-3-5-18(23)14-17/h3-7,14,16H,8-13H2,1-2H3,(H,24,27).
What are the key properties of 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide?
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 42851947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).