N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide

C23H23N3O3 — CID 108559387

IUPACN-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)no1
InChIInChI=1S/C23H23N3O3/c1-16-15-21(25-29-16)23(28)26-13-11-20(12-14-26)24-22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H,24,27)
InChIKeyABAQLQAJIYPSGT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.68
Rot. Bonds4

About N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide

N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide (PubChem CID 108559387) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
PubChem CID108559387
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide
SMILESCc1cc(C(=O)N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)no1
InChIInChI=1S/C23H23N3O3/c1-16-15-21(25-29-16)23(28)26-13-11-20(12-14-26)24-22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H,24,27)
InChIKeyABAQLQAJIYPSGT-UHFFFAOYSA-N
XLogP3.68
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562435
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108563814
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
[3-[4-[(4-phenylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108549433

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide (CID 108559387) is N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide is Cc1cc(C(=O)N2CCC(NC(=O)c3ccc(-c4ccccc4)cc3)CC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide?
The InChIKey is ABAQLQAJIYPSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-15-21(25-29-16)23(28)26-13-11-20(12-14-26)24-22(27)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,15,20H,11-14H2,1H3,(H,24,27).
What are the key properties of N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide?
N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-4-phenylbenzamide is sourced from PubChem (CID 108559387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).