2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid

C16H19BrN2O4 — CID 119197904

IUPAC2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid
SMILESCC(=O)N1CCC(C(=O)NC(C(=O)O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H19BrN2O4/c1-10(20)19-8-6-12(7-9-19)15(21)18-14(16(22)23)11-2-4-13(17)5-3-11/h2-5,12,14H,6-9H2,1H3,(H,18,21)(H,22,23)
InChIKeyRPUOWSSFPVFMAT-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.95
Rot. Bonds4

About 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid

2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid (PubChem CID 119197904) has the molecular formula C16H19BrN2O4 and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid
PubChem CID119197904
Molecular FormulaC16H19BrN2O4
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid
SMILESCC(=O)N1CCC(C(=O)NC(C(=O)O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H19BrN2O4/c1-10(20)19-8-6-12(7-9-19)15(21)18-14(16(22)23)11-2-4-13(17)5-3-11/h2-5,12,14H,6-9H2,1H3,(H,18,21)(H,22,23)
InChIKeyRPUOWSSFPVFMAT-UHFFFAOYSA-N
XLogP1.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidine-4-carbonyl]amino]-2-phenylacetic acid;hydrochloride
CID 52994086
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
CID 119367985
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
1-acetyl-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 6469814
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
tert-butyl 4-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]carbamoyl]piperidine-1-carboxylate
CID 163259819
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid?
The IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid (CID 119197904) is 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid is CC(=O)N1CCC(C(=O)NC(C(=O)O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid?
The InChIKey is RPUOWSSFPVFMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4/c1-10(20)19-8-6-12(7-9-19)15(21)18-14(16(22)23)11-2-4-13(17)5-3-11/h2-5,12,14H,6-9H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid?
2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid has a molecular weight of 383.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-4-carbonyl)amino]-2-(4-bromophenyl)acetic acid is sourced from PubChem (CID 119197904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).