N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide

C14H18Br2N2O — CID 107599604

IUPACN-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H18Br2N2O/c15-11-5-3-6-12(16)14(11)18-13(19)8-7-10-4-1-2-9-17-10/h3,5-6,10,17H,1-2,4,7-9H2,(H,18,19)
InChIKeyFLHXYZNNIBVBNN-UHFFFAOYSA-N
MW390.12 g/mol
LogP4.07
Rot. Bonds4

About N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide

N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide (PubChem CID 107599604) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
PubChem CID107599604
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC NameN-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide
SMILESO=C(CCC1CCCCN1)Nc1c(Br)cccc1Br
InChIInChI=1S/C14H18Br2N2O/c15-11-5-3-6-12(16)14(11)18-13(19)8-7-10-4-1-2-9-17-10/h3,5-6,10,17H,1-2,4,7-9H2,(H,18,19)
InChIKeyFLHXYZNNIBVBNN-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 65469168
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
3-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62211801
N-(4-bromo-2,5-difluorophenyl)-3-piperidin-2-ylpropanamide
CID 107611652
N-(3-acetylphenyl)-3-piperidin-2-ylpropanamide
CID 62210606
2-(3-piperidin-2-ylpropanoylamino)benzamide
CID 62210500
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
3-piperidin-2-yl-N-(3,4,5-trifluorophenyl)propanamide
CID 62813870
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343
N-(3-chloro-4-hydroxyphenyl)-3-piperidin-2-ylpropanamide
CID 107679893
N-[(1R)-1-(4-bromophenyl)ethyl]-3-piperidin-2-ylpropanamide
CID 81359749
N-(2-methylpyrazol-3-yl)-3-piperidin-2-ylpropanamide
CID 62211474

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide?
The IUPAC name of N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide (CID 107599604) is N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide?
The canonical SMILES for N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide is O=C(CCC1CCCCN1)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide?
The InChIKey is FLHXYZNNIBVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c15-11-5-3-6-12(16)14(11)18-13(19)8-7-10-4-1-2-9-17-10/h3,5-6,10,17H,1-2,4,7-9H2,(H,18,19).
What are the key properties of N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide?
N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide has a molecular weight of 390.12 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-3-piperidin-2-ylpropanamide is sourced from PubChem (CID 107599604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).