N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide

C21H24BrN3O2 — CID 3220865

IUPACN-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)Cc2ccccc2)CC1)Nc1ccccc1Br
InChIInChI=1S/C21H24BrN3O2/c22-18-8-4-5-9-19(18)24-21(27)15-25-12-10-17(11-13-25)23-20(26)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,26)(H,24,27)
InChIKeyNAWYMSWVTPCOLO-UHFFFAOYSA-N
MW430.35 g/mol
LogP3.21
Rot. Bonds6

About N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide

N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide (PubChem CID 3220865) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
PubChem CID3220865
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC NameN-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
SMILESO=C(CN1CCC(NC(=O)Cc2ccccc2)CC1)Nc1ccccc1Br
InChIInChI=1S/C21H24BrN3O2/c22-18-8-4-5-9-19(18)24-21(27)15-25-12-10-17(11-13-25)23-20(26)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,26)(H,24,27)
InChIKeyNAWYMSWVTPCOLO-UHFFFAOYSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(4-(3-aminocarbonyl-phenyl)-piperazin-1-yl)-butyl)-4-bromo-benzamide
CID 16066765
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N1-phenyl-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806925
N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 3905761
N-(4-fluorophenyl)-1-(3-phenylpropanoyl)-3-piperidinamine
CID 24791061
4-bromo-N-[4-(1-piperidinylcarbonyl)phenyl]benzamide
CID 1039688
N-(2,4-Dimethyl-phenyl)-2-(4-phenylacetylamino-piperidin-1-yl)-acetamide
CID 3220942
N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-3-phenyl-propionamide
CID 18706425
N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-2-phenyl-acetamide
CID 18706638
N-[2-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]anilino]-2-oxo-ethyl]benzamide
CID 44448794
2-(4-bromophenyl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 59200611

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide (CID 3220865) is N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide is O=C(CN1CCC(NC(=O)Cc2ccccc2)CC1)Nc1ccccc1Br.
What is the InChIKey of N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
The InChIKey is NAWYMSWVTPCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-18-8-4-5-9-19(18)24-21(27)15-25-12-10-17(11-13-25)23-20(26)14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide?
N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide has a molecular weight of 430.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-bromoanilino)-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 3220865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).