5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide

C22H27ClFN3O3 — CID 55959163

IUPAC5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C22H27ClFN3O3/c1-14(2)30-22-18(23)11-16(12-25-22)21(28)26-17-6-8-27(9-7-17)13-15-4-5-20(29-3)19(24)10-15/h4-5,10-12,14,17H,6-9,13H2,1-3H3,(H,26,28)
InChIKeyJIRBCWYBGVJFOM-UHFFFAOYSA-N
MW435.93 g/mol
LogP4.06
Rot. Bonds7

About 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 55959163) has the molecular formula C22H27ClFN3O3 and a molecular weight of 435.93 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID55959163
Molecular FormulaC22H27ClFN3O3
Molecular Weight435.93 g/mol
Exact Mass435.17
IUPAC Name5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCOc1ccc(CN2CCC(NC(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)cc1F
InChIInChI=1S/C22H27ClFN3O3/c1-14(2)30-22-18(23)11-16(12-25-22)21(28)26-17-6-8-27(9-7-17)13-15-4-5-20(29-3)19(24)10-15/h4-5,10-12,14,17H,6-9,13H2,1-3H3,(H,26,28)
InChIKeyJIRBCWYBGVJFOM-UHFFFAOYSA-N
XLogP4.06
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
CID 24504215
4-ethoxy-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 55959016
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
5-chloro-N-(1-cyclopropylpiperidin-4-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 47059655
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
1-(3-chloro-4-methylphenyl)-3-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]urea
CID 55817120
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
4-acetyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 55909424
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
4-(2-chlorophenyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 60543998
2-(difluoromethyl)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 56561297

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide (CID 55959163) is 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide is COc1ccc(CN2CCC(NC(=O)c3cnc(OC(C)C)c(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is JIRBCWYBGVJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O3/c1-14(2)30-22-18(23)11-16(12-25-22)21(28)26-17-6-8-27(9-7-17)13-15-4-5-20(29-3)19(24)10-15/h4-5,10-12,14,17H,6-9,13H2,1-3H3,(H,26,28).
What are the key properties of 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 435.93 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 55959163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).