1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C25H28N4O4 — CID 55809801

IUPAC1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)C2)nc1
InChIInChI=1S/C25H28N4O4/c1-16-6-11-23(26-13-16)27-24(30)20-5-4-12-29(14-20)25(31)19-7-9-21(10-8-19)32-15-22-17(2)28-33-18(22)3/h6-11,13,20H,4-5,12,14-15H2,1-3H3,(H,26,27,30)
InChIKeyCVQJAIMPIXUAGZ-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.06
Rot. Bonds6

About 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55809801) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55809801
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)C2)nc1
InChIInChI=1S/C25H28N4O4/c1-16-6-11-23(26-13-16)27-24(30)20-5-4-12-29(14-20)25(31)19-7-9-21(10-8-19)32-15-22-17(2)28-33-18(22)3/h6-11,13,20H,4-5,12,14-15H2,1-3H3,(H,26,27,30)
InChIKeyCVQJAIMPIXUAGZ-UHFFFAOYSA-N
XLogP4.06
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 47048690
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022
methyl 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153800
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 35743315
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
N'-(cyclopropanecarbonyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzohydrazide
CID 34259031
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 41291675
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
(3R)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-3-carboxamide
CID 9292651

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55809801) is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)C2)nc1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is CVQJAIMPIXUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-16-6-11-23(26-13-16)27-24(30)20-5-4-12-29(14-20)25(31)19-7-9-21(10-8-19)32-15-22-17(2)28-33-18(22)3/h6-11,13,20H,4-5,12,14-15H2,1-3H3,(H,26,27,30).
What are the key properties of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55809801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).