N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide

C23H24ClN3O3 — CID 55813157

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
SMILESCc1cc2occ(CC(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2cc1C
InChIInChI=1S/C23H24ClN3O3/c1-14-9-19-17(13-30-20(19)10-15(14)2)11-22(28)27-7-5-16(6-8-27)23(29)26-21-4-3-18(24)12-25-21/h3-4,9-10,12-13,16H,5-8,11H2,1-2H3,(H,25,26,29)
InChIKeyXTXVURFJCIRELY-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.52
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 55813157) has the molecular formula C23H24ClN3O3 and a molecular weight of 425.92 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID55813157
Molecular FormulaC23H24ClN3O3
Molecular Weight425.92 g/mol
Exact Mass425.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
SMILESCc1cc2occ(CC(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2cc1C
InChIInChI=1S/C23H24ClN3O3/c1-14-9-19-17(13-30-20(19)10-15(14)2)11-22(28)27-7-5-16(6-8-27)23(29)26-21-4-3-18(24)12-25-21/h3-4,9-10,12-13,16H,5-8,11H2,1-2H3,(H,25,26,29)
InChIKeyXTXVURFJCIRELY-UHFFFAOYSA-N
XLogP4.52
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 60607197
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-[2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55925437
N-(5-chloro-2-pyridinyl)-1-(1-ethyl-5-methylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 166248157
1-(5-amino-2-methylbenzoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643954
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
CID 55931139
1-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55818394
N-(5-chloro-2-pyridinyl)-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]piperidine-4-carboxamide
CID 55924672
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide
CID 52760830

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide (CID 55813157) is N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide is Cc1cc2occ(CC(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)c2cc1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is XTXVURFJCIRELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3/c1-14-9-19-17(13-30-20(19)10-15(14)2)11-22(28)27-7-5-16(6-8-27)23(29)26-21-4-3-18(24)12-25-21/h3-4,9-10,12-13,16H,5-8,11H2,1-2H3,(H,25,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 55813157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).