N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C22H23N5O3 — CID 55632262

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H23N5O3/c28-21(15-30-19-4-2-1-3-5-19)26-11-8-17(9-12-26)22(29)25-18-6-7-20(24-14-18)27-13-10-23-16-27/h1-7,10,13-14,16-17H,8-9,11-12,15H2,(H,25,29)
InChIKeyJKCWSYVOHCUMIQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.52
Rot. Bonds6

About N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55632262) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55632262
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2ccnc2)nc1)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C22H23N5O3/c28-21(15-30-19-4-2-1-3-5-19)26-11-8-17(9-12-26)22(29)25-18-6-7-20(24-14-18)27-13-10-23-16-27/h1-7,10,13-14,16-17H,8-9,11-12,15H2,(H,25,29)
InChIKeyJKCWSYVOHCUMIQ-UHFFFAOYSA-N
XLogP2.52
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[4-(2-phenoxyacetyl)piperazin-1-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 42850034
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-(1-methylpyrazol-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 32609867
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110085539
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
N-(6-imidazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
CID 63005414
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633115

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55632262) is N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is O=C(Nc1ccc(-n2ccnc2)nc1)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is JKCWSYVOHCUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c28-21(15-30-19-4-2-1-3-5-19)26-11-8-17(9-12-26)22(29)25-18-6-7-20(24-14-18)27-13-10-23-16-27/h1-7,10,13-14,16-17H,8-9,11-12,15H2,(H,25,29).
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55632262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).