(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride

C16H18Cl3N3O3 — CID 119381953

IUPAC(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1
InChIInChI=1S/C16H17Cl2N3O3.ClH/c17-12-4-1-5-13(18)15(12)23-9-11-7-14(20-24-11)16(22)21-6-2-3-10(19)8-21;/h1,4-5,7,10H,2-3,6,8-9,19H2;1H
InChIKeyVTCVXCDYUHIDHI-UHFFFAOYSA-N
MW406.70 g/mol
LogP3.55
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride (PubChem CID 119381953) has the molecular formula C16H18Cl3N3O3 and a molecular weight of 406.70 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
PubChem CID119381953
Molecular FormulaC16H18Cl3N3O3
Molecular Weight406.70 g/mol
Exact Mass405.04
IUPAC Name(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1
InChIInChI=1S/C16H17Cl2N3O3.ClH/c17-12-4-1-5-13(18)15(12)23-9-11-7-14(20-24-11)16(22)21-6-2-3-10(19)8-21;/h1,4-5,7,10H,2-3,6,8-9,19H2;1H
InChIKeyVTCVXCDYUHIDHI-UHFFFAOYSA-N
XLogP3.55
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580992
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119564152
(2S)-1-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365137
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
CID 176515188
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 25301894
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[5-[(2,6-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 26392318
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
[3-(2-chlorophenyl)pyrrolidin-1-yl]-[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 24791219
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-phenylmethanone
CID 162407806

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride (CID 119381953) is (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2cc(COc3c(Cl)cccc3Cl)on2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride?
The InChIKey is VTCVXCDYUHIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3.ClH/c17-12-4-1-5-13(18)15(12)23-9-11-7-14(20-24-11)16(22)21-6-2-3-10(19)8-21;/h1,4-5,7,10H,2-3,6,8-9,19H2;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride has a molecular weight of 406.70 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119381953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).