(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone

C21H29N3O3 — CID 154787388

IUPAC(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone
SMILESCOc1c(C)cc(C(=O)N2CCCC(N(C)Cc3nocc3C)C2)cc1C
InChIInChI=1S/C21H29N3O3/c1-14-9-17(10-15(2)20(14)26-5)21(25)24-8-6-7-18(11-24)23(4)12-19-16(3)13-27-22-19/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyVMGNLELHKVNFFB-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.35
Rot. Bonds5

About (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone

(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone (PubChem CID 154787388) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone
PubChem CID154787388
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone
SMILESCOc1c(C)cc(C(=O)N2CCCC(N(C)Cc3nocc3C)C2)cc1C
InChIInChI=1S/C21H29N3O3/c1-14-9-17(10-15(2)20(14)26-5)21(25)24-8-6-7-18(11-24)23(4)12-19-16(3)13-27-22-19/h9-10,13,18H,6-8,11-12H2,1-5H3
InChIKeyVMGNLELHKVNFFB-UHFFFAOYSA-N
XLogP3.35
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-[[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]-methylamino]acetic acid
CID 138001992
[1-[4-(dimethylamino)benzoyl]piperidin-3-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 45199439
[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 126766447
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25455997
[(3S)-3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 95716910
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 45245379
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]methanone
CID 95726966
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
(2S,3S)-1-(4-methoxy-3,5-dimethylbenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116519
(4-methoxy-3-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95970544

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone (CID 154787388) is (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone is COc1c(C)cc(C(=O)N2CCCC(N(C)Cc3nocc3C)C2)cc1C.
What is the InChIKey of (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone?
The InChIKey is VMGNLELHKVNFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14-9-17(10-15(2)20(14)26-5)21(25)24-8-6-7-18(11-24)23(4)12-19-16(3)13-27-22-19/h9-10,13,18H,6-8,11-12H2,1-5H3.
What are the key properties of (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone?
(4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3,5-dimethylphenyl)-[3-[methyl-[(4-methyl-1,2-oxazol-3-yl)methyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 154787388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).