4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one

C14H19Cl2N3O — CID 58378260

IUPAC4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one
SMILESNCCCC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c15-11-8-18-9-12(16)14(11)19-6-3-10(4-7-19)13(20)2-1-5-17/h8-10H,1-7,17H2
InChIKeyWWOYTMFFSBKIQW-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.91
Rot. Bonds5

About 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one

4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one (PubChem CID 58378260) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one
PubChem CID58378260
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one
SMILESNCCCC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1
InChIInChI=1S/C14H19Cl2N3O/c15-11-8-18-9-12(16)14(11)19-6-3-10(4-7-19)13(20)2-1-5-17/h8-10H,1-7,17H2
InChIKeyWWOYTMFFSBKIQW-UHFFFAOYSA-N
XLogP2.91
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-Dichloropyridin-4-yl)piperidine-4-carboxamide
CID 2811640
1-(3-Chloro-5-phenylpyridin-4-yl)piperidine-4-carboxamide
CID 45275459
1-(3-Chloro-5-(4-fluorophenyl)pyridin-4-yl)piperidine-4-carboxamide
CID 45275571
2-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)acetohydrazide
CID 57412748
4-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)butanehydrazide
CID 57412749
3-cyclohexyl-N'-(3,5-dichloro-4-pyridinyl)propanehydrazide
CID 57412746
(1-(3,5-Dichloropyridin-4-yl)piperidin-4-yl)methanamine
CID 45275783
1-(3,5-dichloro-4-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 45274904
1-(3,5-dichloropyridin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 45274905
1-(3-Chloropyridin-4-yl)piperidine-4-carboxamide
CID 45275020
1-(3,5-dichloro-4-pyridinyl)-N-phenylpiperidine-4-carboxamide
CID 118730655
1-(3,5-dichloro-4-pyridinyl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 118730656

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one?
The IUPAC name of 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one (CID 58378260) is 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one is NCCCC(=O)C1CCN(c2c(Cl)cncc2Cl)CC1.
What is the InChIKey of 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one?
The InChIKey is WWOYTMFFSBKIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c15-11-8-18-9-12(16)14(11)19-6-3-10(4-7-19)13(20)2-1-5-17/h8-10H,1-7,17H2.
What are the key properties of 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one?
4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one has a molecular weight of 316.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one is sourced from PubChem (CID 58378260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).