3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one

C14H18Cl2N2O — CID 109013917

IUPAC3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1c(Cl)cccc1Cl)N1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c15-11-5-4-6-12(16)14(11)17-8-7-13(19)18-9-2-1-3-10-18/h4-6,17H,1-3,7-10H2
InChIKeyRRNXESWXPPBENU-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.81
Rot. Bonds4

About 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one

3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 109013917) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID109013917
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1c(Cl)cccc1Cl)N1CCCCC1
InChIInChI=1S/C14H18Cl2N2O/c15-11-5-4-6-12(16)14(11)17-8-7-13(19)18-9-2-1-3-10-18/h4-6,17H,1-3,7-10H2
InChIKeyRRNXESWXPPBENU-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichloroanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017345
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
3-(2,6-dichloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027122
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
3-(azepan-1-yl)-N-(2,6-dichlorophenyl)-3-oxopropanamide
CID 108952754
N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942484
3-(2,4-dichloroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013396
3-[(3-amino-5-chloro-4-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114285890
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one (CID 109013917) is 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one is O=C(CCNc1c(Cl)cccc1Cl)N1CCCCC1.
What is the InChIKey of 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is RRNXESWXPPBENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-11-5-4-6-12(16)14(11)17-8-7-13(19)18-9-2-1-3-10-18/h4-6,17H,1-3,7-10H2.
What are the key properties of 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one?
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 301.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 109013917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).