1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid

C14H16BrNO3 — CID 70818696

IUPAC1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H16BrNO3/c1-10(17)16-8-6-14(7-9-16,13(18)19)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyKZWNEHHPHBUBGM-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.41
Rot. Bonds2

About 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid

1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid (PubChem CID 70818696) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
PubChem CID70818696
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC Name1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)O)(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H16BrNO3/c1-10(17)16-8-6-14(7-9-16,13(18)19)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyKZWNEHHPHBUBGM-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[1-(4-bromophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 31782032
1-(2-methylbut-2-enoyl)-4-phenylpiperidine-4-carboxylic acid
CID 91943939
1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 55879768
5-(4-bromophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008275
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 82304051
(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 97324717
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(4-bromophenyl)-3-hydroxycyclobutane-1-carboxylic acid
CID 58216595
1-[1-(4-bromophenyl)cyclobutanecarbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258301
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid (CID 70818696) is 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid is CC(=O)N1CCC(C(=O)O)(c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid?
The InChIKey is KZWNEHHPHBUBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c1-10(17)16-8-6-14(7-9-16,13(18)19)11-2-4-12(15)5-3-11/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid?
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid has a molecular weight of 326.19 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70818696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).