1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride

C18H25Cl2N3O2 — CID 119560940

IUPAC1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
SMILESCNC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-19-15-9-11-21(12-10-15)18(22)8-7-17-20-13-16(23-17)14-5-3-2-4-6-14;;/h2-6,13,15,19H,7-12H2,1H3;2*1H
InChIKeyADEYLLRLWDBZRW-UHFFFAOYSA-N
MW386.32 g/mol
LogP3.33
Rot. Bonds5

About 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride

1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride (PubChem CID 119560940) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
PubChem CID119560940
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
SMILESCNC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-19-15-9-11-21(12-10-15)18(22)8-7-17-20-13-16(23-17)14-5-3-2-4-6-14;;/h2-6,13,15,19H,7-12H2,1H3;2*1H
InChIKeyADEYLLRLWDBZRW-UHFFFAOYSA-N
XLogP3.33
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride with MolForge

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-4-carboxamide
CID 55519665
2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
CID 119178434
6-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136530
1-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888753
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119539972
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 38491702

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride (CID 119560940) is 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride is CNC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride?
The InChIKey is ADEYLLRLWDBZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c1-19-15-9-11-21(12-10-15)18(22)8-7-17-20-13-16(23-17)14-5-3-2-4-6-14;;/h2-6,13,15,19H,7-12H2,1H3;2*1H.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride?
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119560940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).