2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide

C27H28ClN3O4 — CID 46044700

IUPAC2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O4/c1-18-3-12-24(27(33)30-21-6-10-22(34-2)11-7-21)26(29-18)19-13-15-31(16-14-19)25(32)17-35-23-8-4-20(28)5-9-23/h3-12,19H,13-17H2,1-2H3,(H,30,33)
InChIKeyXKFBXIMFZDRHFN-UHFFFAOYSA-N
MW493.99 g/mol
LogP5.09
Rot. Bonds7

About 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide

2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 46044700) has the molecular formula C27H28ClN3O4 and a molecular weight of 493.99 g/mol. Its IUPAC name is 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
PubChem CID46044700
Molecular FormulaC27H28ClN3O4
Molecular Weight493.99 g/mol
Exact Mass493.18
IUPAC Name2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C27H28ClN3O4/c1-18-3-12-24(27(33)30-21-6-10-22(34-2)11-7-21)26(29-18)19-13-15-31(16-14-19)25(32)17-35-23-8-4-20(28)5-9-23/h3-12,19H,13-17H2,1-2H3,(H,30,33)
InChIKeyXKFBXIMFZDRHFN-UHFFFAOYSA-N
XLogP5.09
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.99
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2-[1-[3-(3-methoxyphenoxy)propanoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3532984
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]-N-(3-imidazol-1-ylpropyl)-6-methylpyridine-3-carboxamide
CID 3804624
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
6-methyl-2-[1-(3-methylbutanoyl)piperidin-4-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 42851957
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3690110
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 110084796
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108549791
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 46068341

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 46044700) is 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(C)nc2C2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is XKFBXIMFZDRHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN3O4/c1-18-3-12-24(27(33)30-21-6-10-22(34-2)11-7-21)26(29-18)19-13-15-31(16-14-19)25(32)17-35-23-8-4-20(28)5-9-23/h3-12,19H,13-17H2,1-2H3,(H,30,33).
What are the key properties of 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide?
2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 493.99 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-N-(4-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 46044700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).