1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid

C15H19BrN2O3 — CID 122011951

IUPAC1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-10(11-2-4-13(16)5-3-11)17-15(21)18-8-6-12(7-9-18)14(19)20/h2-5,10,12H,6-9H2,1H3,(H,17,21)(H,19,20)/t10-/m1/s1
InChIKeyULBGWQQVQRXLLK-SNVBAGLBSA-N
MW355.23 g/mol
LogP3.02
Rot. Bonds3

About 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122011951) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122011951
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC Name1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
SMILESC[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H19BrN2O3/c1-10(11-2-4-13(16)5-3-11)17-15(21)18-8-6-12(7-9-18)14(19)20/h2-5,10,12H,6-9H2,1H3,(H,17,21)(H,19,20)/t10-/m1/s1
InChIKeyULBGWQQVQRXLLK-SNVBAGLBSA-N
XLogP3.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
CID 95154756
1-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907579
1-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 114159335
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
[4-[1-(4-bromophenyl)ethylamino]piperidin-1-yl]-cyclopropylmethanone
CID 43747865
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
1-[[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015948

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid (CID 122011951) is 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid is C[C@@H](NC(=O)N1CCC(C(=O)O)CC1)c1ccc(Br)cc1.
What is the InChIKey of 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ULBGWQQVQRXLLK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-10(11-2-4-13(16)5-3-11)17-15(21)18-8-6-12(7-9-18)14(19)20/h2-5,10,12H,6-9H2,1H3,(H,17,21)(H,19,20)/t10-/m1/s1.
What are the key properties of 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 355.23 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122011951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).