N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

C17H26BrClN4O — CID 120847820

IUPACN-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cn1)C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C17H25BrN4O.ClH/c18-15-3-4-16(20-11-15)21-17(23)14-5-8-22(9-6-14)12-13-2-1-7-19-10-13;/h3-4,11,13-14,19H,1-2,5-10,12H2,(H,20,21,23);1H
InChIKeyQLQIWGVLGCGTKX-UHFFFAOYSA-N
MW417.78 g/mol
LogP2.92
Rot. Bonds4

About N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride

N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120847820) has the molecular formula C17H26BrClN4O and a molecular weight of 417.78 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120847820
Molecular FormulaC17H26BrClN4O
Molecular Weight417.78 g/mol
Exact Mass416.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cn1)C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C17H25BrN4O.ClH/c18-15-3-4-16(20-11-15)21-17(23)14-5-8-22(9-6-14)12-13-2-1-7-19-10-13;/h3-4,11,13-14,19H,1-2,5-10,12H2,(H,20,21,23);1H
InChIKeyQLQIWGVLGCGTKX-UHFFFAOYSA-N
XLogP2.92
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 55922690
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-bromo-2-pyridinyl)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 56525515
N-(5-bromo-2-pyridinyl)-1-[2-(4-ethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548261
N-(5-bromo-2-pyridinyl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 60548387
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride (CID 120847820) is N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Br)cn1)C1CCN(CC2CCCNC2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is QLQIWGVLGCGTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O.ClH/c18-15-3-4-16(20-11-15)21-17(23)14-5-8-22(9-6-14)12-13-2-1-7-19-10-13;/h3-4,11,13-14,19H,1-2,5-10,12H2,(H,20,21,23);1H.
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride?
N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 417.78 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120847820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).