N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide

C15H22N4O3 — CID 119276056

IUPACN-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)C3CCCN3)CC2)no1
InChIInChI=1S/C15H22N4O3/c1-10-9-13(18-22-10)17-14(20)11-4-7-19(8-5-11)15(21)12-3-2-6-16-12/h9,11-12,16H,2-8H2,1H3,(H,17,18,20)
InChIKeyJKIWXEIICPZGFR-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.91
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide (PubChem CID 119276056) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
PubChem CID119276056
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)C3CCCN3)CC2)no1
InChIInChI=1S/C15H22N4O3/c1-10-9-13(18-22-10)17-14(20)11-4-7-19(8-5-11)15(21)12-3-2-6-16-12/h9,11-12,16H,2-8H2,1H3,(H,17,18,20)
InChIKeyJKIWXEIICPZGFR-UHFFFAOYSA-N
XLogP0.91
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide (CID 119276056) is N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)C3CCCN3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is JKIWXEIICPZGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10-9-13(18-22-10)17-14(20)11-4-7-19(8-5-11)15(21)12-3-2-6-16-12/h9,11-12,16H,2-8H2,1H3,(H,17,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-1-(pyrrolidine-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119276056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).