methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate

C20H21N3O5 — CID 122256644

IUPACmethyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)cc1
InChIInChI=1S/C20H21N3O5/c1-27-20(26)14-6-4-13(5-7-14)19(25)23-10-2-3-16(12-23)28-15-8-9-22-17(11-15)18(21)24/h4-9,11,16H,2-3,10,12H2,1H3,(H2,21,24)
InChIKeyBTHDQYGHWCERBN-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.65
Rot. Bonds5

About methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate

methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate (PubChem CID 122256644) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
PubChem CID122256644
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)cc1
InChIInChI=1S/C20H21N3O5/c1-27-20(26)14-6-4-13(5-7-14)19(25)23-10-2-3-16(12-23)28-15-8-9-22-17(11-15)18(21)24/h4-9,11,16H,2-3,10,12H2,1H3,(H2,21,24)
InChIKeyBTHDQYGHWCERBN-UHFFFAOYSA-N
XLogP1.65
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate with MolForge

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Related Compounds

4-[1-(4-bromobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256718
4-[1-(4-fluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256712
4-[1-(1H-indole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256871
4-[1-(cyclopentylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257046
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256598
4-(1-butanoylpiperidin-3-yl)oxypyridine-2-carboxamide
CID 122256660
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
4-[1-(phenylcarbamoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256998
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-[1-[(2-methoxyphenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257006

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate (CID 122256644) is methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCCC(Oc3ccnc(C(N)=O)c3)C2)cc1.
What is the InChIKey of methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
The InChIKey is BTHDQYGHWCERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-20(26)14-6-4-13(5-7-14)19(25)23-10-2-3-16(12-23)28-15-8-9-22-17(11-15)18(21)24/h4-9,11,16H,2-3,10,12H2,1H3,(H2,21,24).
What are the key properties of methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate?
methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate has a molecular weight of 383.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(2-carbamoyl-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 122256644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).