1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride

C15H21BrClN3O2 — CID 119314721

IUPAC1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-10(17)15(21)19-8-6-11(7-9-19)14(20)18-13-5-3-2-4-12(13)16;/h2-5,10-11H,6-9,17H2,1H3,(H,18,20);1H/t10-;/m0./s1
InChIKeyNWLUXLYXILKOEP-PPHPATTJSA-N
MW390.71 g/mol
LogP2.40
Rot. Bonds3

About 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride

1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119314721) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119314721
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC Name1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
SMILESC[C@H](N)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.Cl
InChIInChI=1S/C15H20BrN3O2.ClH/c1-10(17)15(21)19-8-6-11(7-9-19)14(20)18-13-5-3-2-4-12(13)16;/h2-5,10-11H,6-9,17H2,1H3,(H,18,20);1H/t10-;/m0./s1
InChIKeyNWLUXLYXILKOEP-PPHPATTJSA-N
XLogP2.40
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
1-N-(2-bromophenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144612
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
N-(2-bromophenyl)-1-(piperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119314729
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
1-(3-aminocyclopentanecarbonyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119768319
1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768316
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride (CID 119314721) is 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride is C[C@H](N)C(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.Cl.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is NWLUXLYXILKOEP-PPHPATTJSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c1-10(17)15(21)19-8-6-11(7-9-19)14(20)18-13-5-3-2-4-12(13)16;/h2-5,10-11H,6-9,17H2,1H3,(H,18,20);1H/t10-;/m0./s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride?
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119314721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).