2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C21H27N3O3 — CID 47060155

IUPAC2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-4-18(21(26)22-19-13-15(3)27-23-19)24-11-9-17(10-12-24)20(25)16-7-5-14(2)6-8-16/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,22,23,26)
InChIKeyXJYCXPMYPRNPCL-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.60
Rot. Bonds6

About 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 47060155) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID47060155
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N1CCC(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C21H27N3O3/c1-4-18(21(26)22-19-13-15(3)27-23-19)24-11-9-17(10-12-24)20(25)16-7-5-14(2)6-8-16/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,22,23,26)
InChIKeyXJYCXPMYPRNPCL-UHFFFAOYSA-N
XLogP3.60
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32687753
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 55682492
(2R)-2-[(3S)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95282319
N-(2-hydroxyphenyl)-1-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxohexan-2-yl]piperidine-4-carboxamide
CID 32741538
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(3R)-2-oxoazepan-3-yl]piperazin-1-yl]butanamide
CID 95785782
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 95288126
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 100871755
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]butanamide
CID 97025158
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560998
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)hexanamide
CID 111543682
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]butanamide
CID 47079050
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-methylphenyl)phenoxy]butanamide
CID 24533971

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 47060155) is 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(C(=O)Nc1cc(C)on1)N1CCC(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is XJYCXPMYPRNPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-18(21(26)22-19-13-15(3)27-23-19)24-11-9-17(10-12-24)20(25)16-7-5-14(2)6-8-16/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,22,23,26).
What are the key properties of 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 369.47 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 47060155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).