N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride

C17H25BrClN3O2 — CID 119768316

IUPACN-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
SMILESCNCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-19-10-4-7-16(22)21-11-8-13(9-12-21)17(23)20-15-6-3-2-5-14(15)18;/h2-3,5-6,13,19H,4,7-12H2,1H3,(H,20,23);1H
InChIKeyCUJSDUKAKLNVTB-UHFFFAOYSA-N
MW418.76 g/mol
LogP3.05
Rot. Bonds6

About N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride

N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119768316) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119768316
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC NameN-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride
SMILESCNCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-19-10-4-7-16(22)21-11-8-13(9-12-21)17(23)20-15-6-3-2-5-14(15)18;/h2-3,5-6,13,19H,4,7-12H2,1H3,(H,20,23);1H
InChIKeyCUJSDUKAKLNVTB-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminobutanoyl)-N-(2-bromophenyl)piperidine-4-carboxamide
CID 119314744
N-(2-bromophenyl)-1-[2-methyl-3-(methylamino)propanoyl]piperidine-4-carboxamide;hydrochloride
CID 119768328
N-(2-bromophenyl)-1-[2-(cyclopropylmethylamino)acetyl]piperidine-4-carboxamide;hydrochloride
CID 119768326
1-[(2S)-2-aminopropanoyl]-N-(2-bromophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314721
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-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323
N-(2-bromophenyl)cyclopentanecarboxamide
CID 1228174
1-[1-[4-(methylamino)butanoyl]piperidin-4-yl]-3-phenylurea;hydrochloride
CID 119750416
N-(2-methoxyphenyl)-1-octanoylpiperidine-4-carboxamide
CID 55653511
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride (CID 119768316) is N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride is CNCCCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1.Cl.
What is the InChIKey of N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CUJSDUKAKLNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c1-19-10-4-7-16(22)21-11-8-13(9-12-21)17(23)20-15-6-3-2-5-14(15)18;/h2-3,5-6,13,19H,4,7-12H2,1H3,(H,20,23);1H.
What are the key properties of N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride?
N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119768316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).