N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

C22H23ClN4O3 — CID 55995549

IUPACN-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(CN3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)co2)cc1
InChIInChI=1S/C22H23ClN4O3/c1-29-19-7-4-15(5-8-19)22-25-18(14-30-22)13-27-10-2-3-16(12-27)21(28)26-20-9-6-17(23)11-24-20/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H,24,26,28)
InChIKeyLJZGILMNLAAIHI-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.25
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 55995549) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID55995549
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCOc1ccc(-c2nc(CN3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)co2)cc1
InChIInChI=1S/C22H23ClN4O3/c1-29-19-7-4-15(5-8-19)22-25-18(14-30-22)13-27-10-2-3-16(12-27)21(28)26-20-9-6-17(23)11-24-20/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H,24,26,28)
InChIKeyLJZGILMNLAAIHI-UHFFFAOYSA-N
XLogP4.25
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-(5-chloro-2-pyridinyl)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 51961377
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
N-(5-chloro-2-pyridinyl)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55815935
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
N-(5-chloro-2-pyridinyl)-1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 47049305
1-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]pyrrolidine-3-carboxylic acid
CID 63031516
N-(2-aminoethyl)-1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 119916782
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (CID 55995549) is N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is COc1ccc(-c2nc(CN3CCCC(C(=O)Nc4ccc(Cl)cn4)C3)co2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is LJZGILMNLAAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-29-19-7-4-15(5-8-19)22-25-18(14-30-22)13-27-10-2-3-16(12-27)21(28)26-20-9-6-17(23)11-24-20/h4-9,11,14,16H,2-3,10,12-13H2,1H3,(H,24,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 55995549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).