3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

C22H31N3O3 — CID 97269318

IUPAC3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c(C)noc3C)C2)c(C)c1
InChIInChI=1S/C22H31N3O3/c1-15-12-19(27-4)8-9-21(15)23-22(26)10-7-18-6-5-11-25(13-18)14-20-16(2)24-28-17(20)3/h8-9,12,18H,5-7,10-11,13-14H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyXREWWVYOZPYTCO-SFHVURJKSA-N
MW385.51 g/mol
LogP4.24
Rot. Bonds7

About 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide

3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (PubChem CID 97269318) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
PubChem CID97269318
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c(C)noc3C)C2)c(C)c1
InChIInChI=1S/C22H31N3O3/c1-15-12-19(27-4)8-9-21(15)23-22(26)10-7-18-6-5-11-25(13-18)14-20-16(2)24-28-17(20)3/h8-9,12,18H,5-7,10-11,13-14H2,1-4H3,(H,23,26)/t18-/m0/s1
InChIKeyXREWWVYOZPYTCO-SFHVURJKSA-N
XLogP4.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42241549
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CID 26411235
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carboxamide
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CID 45250387
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N-(4-methoxy-2-methylphenyl)-3-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanamide
CID 72909680
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CID 26409779
3-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 25285978
3-[(3S)-1-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 97274583
3-[(3S)-1-(3-chloro-2-pyridinyl)piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 26403321
N-(4-methoxy-2-methylphenyl)-3-[(3R)-1-(oxan-4-yl)piperidin-3-yl]propanamide
CID 26411725
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-[2-(4-methylphenoxy)acetyl]piperidin-3-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The IUPAC name of 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide (CID 97269318) is 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is COc1ccc(NC(=O)CC[C@@H]2CCCN(Cc3c(C)noc3C)C2)c(C)c1.
What is the InChIKey of 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
The InChIKey is XREWWVYOZPYTCO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-12-19(27-4)8-9-21(15)23-22(26)10-7-18-6-5-11-25(13-18)14-20-16(2)24-28-17(20)3/h8-9,12,18H,5-7,10-11,13-14H2,1-4H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide?
3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide has a molecular weight of 385.51 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 97269318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).