1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide

C22H24BrN3O3 — CID 55879768

IUPAC1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)(c2ccccc2)CC1
InChIInChI=1S/C22H24BrN3O3/c1-16(27)26-13-11-22(12-14-26,17-5-3-2-4-6-17)21(29)24-15-20(28)25-19-9-7-18(23)8-10-19/h2-10H,11-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyVNMCMGCHSWNLCD-UHFFFAOYSA-N
MW458.36 g/mol
LogP3.08
Rot. Bonds5

About 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 55879768) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
PubChem CID55879768
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC Name1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)(c2ccccc2)CC1
InChIInChI=1S/C22H24BrN3O3/c1-16(27)26-13-11-22(12-14-26,17-5-3-2-4-6-17)21(29)24-15-20(28)25-19-9-7-18(23)8-10-19/h2-10H,11-15H2,1H3,(H,24,29)(H,25,28)
InChIKeyVNMCMGCHSWNLCD-UHFFFAOYSA-N
XLogP3.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromoanilino)-2-oxoethyl]-1-phenylcyclopentane-1-carboxamide
CID 112846002
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpiperidine-4-carboxamide
CID 9141961
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
N-(4-bromophenyl)-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113198290
1-(4-bromophenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 31778353
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide (CID 55879768) is 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCC(=O)Nc2ccc(Br)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is VNMCMGCHSWNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-16(27)26-13-11-22(12-14-26,17-5-3-2-4-6-17)21(29)24-15-20(28)25-19-9-7-18(23)8-10-19/h2-10H,11-15H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 458.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55879768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).