1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride

C19H26Cl3N3O2 — CID 119434830

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1.Cl.Cl
InChIInChI=1S/C19H24ClN3O2.2ClH/c1-13(21)16-8-4-5-11-23(16)19(24)10-9-18-22-12-17(25-18)14-6-2-3-7-15(14)20;;/h2-3,6-7,12-13,16H,4-5,8-11,21H2,1H3;2*1H
InChIKeyGIBSLMFKRVZWTG-UHFFFAOYSA-N
MW434.80 g/mol
LogP4.50
Rot. Bonds5

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride

1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride (PubChem CID 119434830) has the molecular formula C19H26Cl3N3O2 and a molecular weight of 434.80 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
PubChem CID119434830
Molecular FormulaC19H26Cl3N3O2
Molecular Weight434.80 g/mol
Exact Mass433.11
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
SMILESCC(N)C1CCCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1.Cl.Cl
InChIInChI=1S/C19H24ClN3O2.2ClH/c1-13(21)16-8-4-5-11-23(16)19(24)10-9-18-22-12-17(25-18)14-6-2-3-7-15(14)20;;/h2-3,6-7,12-13,16H,4-5,8-11,21H2,1H3;2*1H
InChIKeyGIBSLMFKRVZWTG-UHFFFAOYSA-N
XLogP4.50
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119435741
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119466551
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119466552
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119543119
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119467216
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-chlorophenoxy)butan-1-one
CID 119437699
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
1-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 95782150
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119434924
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(5-chlorothiophen-2-yl)propan-1-one;hydrochloride
CID 119435553
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1S)-1-cyclopropylethyl]propanamide
CID 32893547
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoate
CID 78846669

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride (CID 119434830) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride is CC(N)C1CCCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1.Cl.Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride?
The InChIKey is GIBSLMFKRVZWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2.2ClH/c1-13(21)16-8-4-5-11-23(16)19(24)10-9-18-22-12-17(25-18)14-6-2-3-7-15(14)20;;/h2-3,6-7,12-13,16H,4-5,8-11,21H2,1H3;2*1H.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride has a molecular weight of 434.80 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119434830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).