1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone

C12H14Cl3N3O — CID 102751793

IUPAC1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
SMILESO=C(CNc1nc(Cl)c(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C12H14Cl3N3O/c13-8-6-9(14)12(17-11(8)15)16-7-10(19)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17)
InChIKeySHXRIXVNBMULAW-UHFFFAOYSA-N
MW322.62 g/mol
LogP3.47
Rot. Bonds3

About 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone

1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone (PubChem CID 102751793) has the molecular formula C12H14Cl3N3O and a molecular weight of 322.62 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
PubChem CID102751793
Molecular FormulaC12H14Cl3N3O
Molecular Weight322.62 g/mol
Exact Mass321.02
IUPAC Name1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone
SMILESO=C(CNc1nc(Cl)c(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C12H14Cl3N3O/c13-8-6-9(14)12(17-11(8)15)16-7-10(19)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17)
InChIKeySHXRIXVNBMULAW-UHFFFAOYSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.62
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
2-(4-amino-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 106890724
5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 102756697
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
2-(3-chloro-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 39369835
5-amino-6-[(2-oxo-2-piperidin-1-ylethyl)amino]pyridine-2-carboxylic acid
CID 114407658
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone (CID 102751793) is 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone is O=C(CNc1nc(Cl)c(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone?
The InChIKey is SHXRIXVNBMULAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N3O/c13-8-6-9(14)12(17-11(8)15)16-7-10(19)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17).
What are the key properties of 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone?
1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone has a molecular weight of 322.62 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[(3,5,6-trichloro-2-pyridinyl)amino]ethanone is sourced from PubChem (CID 102751793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).