[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

C19H25N3O2 — CID 42199059

IUPAC[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1ccc(N[C@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-12-7-8-16(10-13(12)2)20-17-6-5-9-22(11-17)19(23)18-14(3)21-24-15(18)4/h7-8,10,17,20H,5-6,9,11H2,1-4H3/t17-/m0/s1
InChIKeyBPUIEKPAOWERJI-KRWDZBQOSA-N
MW327.43 g/mol
LogP3.62
Rot. Bonds3

About [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (PubChem CID 42199059) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
PubChem CID42199059
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
SMILESCc1ccc(N[C@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc1C
InChIInChI=1S/C19H25N3O2/c1-12-7-8-16(10-13(12)2)20-17-6-5-9-22(11-17)19(23)18-14(3)21-24-15(18)4/h7-8,10,17,20H,5-6,9,11H2,1-4H3/t17-/m0/s1
InChIKeyBPUIEKPAOWERJI-KRWDZBQOSA-N
XLogP3.62
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone with MolForge

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Related Compounds

[(3R)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 25288777
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
ethyl 4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 42098911
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 42199493
2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
CID 45240420
[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 25289927
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819255
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
CID 42512757
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 45211059

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone (CID 42199059) is [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is Cc1ccc(N[C@H]2CCCN(C(=O)c3c(C)noc3C)C2)cc1C.
What is the InChIKey of [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
The InChIKey is BPUIEKPAOWERJI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-7-8-16(10-13(12)2)20-17-6-5-9-22(11-17)19(23)18-14(3)21-24-15(18)4/h7-8,10,17,20H,5-6,9,11H2,1-4H3/t17-/m0/s1.
What are the key properties of [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone?
[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 42199059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).