N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide

C27H27N5O3 — CID 55535835

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)CC2)no1
InChIInChI=1S/C27H27N5O3/c1-19-17-25(30-35-19)29-26(33)22-11-15-31(16-12-22)27(34)24-6-3-2-5-23(24)21-9-7-20(8-10-21)18-32-14-4-13-28-32/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,29,30,33)
InChIKeyZHEVMZLCSJHDDP-UHFFFAOYSA-N
MW469.55 g/mol
LogP4.39
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide (PubChem CID 55535835) has the molecular formula C27H27N5O3 and a molecular weight of 469.55 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide
PubChem CID55535835
Molecular FormulaC27H27N5O3
Molecular Weight469.55 g/mol
Exact Mass469.21
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)CC2)no1
InChIInChI=1S/C27H27N5O3/c1-19-17-25(30-35-19)29-26(33)22-11-15-31(16-12-22)27(34)24-6-3-2-5-23(24)21-9-7-20(8-10-21)18-32-14-4-13-28-32/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,29,30,33)
InChIKeyZHEVMZLCSJHDDP-UHFFFAOYSA-N
XLogP4.39
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 46633048
ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate
CID 42942112
2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 55678885
1-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-carbonyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 56562758
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739818
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55758260
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579197
N-(5-methyl-1,2-oxazol-3-yl)-1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 30087541
1-[2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylbenzoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 55520295

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide (CID 55535835) is N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide?
The InChIKey is ZHEVMZLCSJHDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O3/c1-19-17-25(30-35-19)29-26(33)22-11-15-31(16-12-22)27(34)24-6-3-2-5-23(24)21-9-7-20(8-10-21)18-32-14-4-13-28-32/h2-10,13-14,17,22H,11-12,15-16,18H2,1H3,(H,29,30,33).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55535835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).