N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide

C18H26BrN3O3 — CID 48678587

IUPACN-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
SMILESCCCCOC(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C18H26BrN3O3/c1-3-4-11-25-13(2)18(24)22-9-7-14(8-10-22)17(23)21-16-6-5-15(19)12-20-16/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,20,21,23)
InChIKeyNUSRBPMVLRYXBJ-UHFFFAOYSA-N
MW412.33 g/mol
LogP3.23
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide (PubChem CID 48678587) has the molecular formula C18H26BrN3O3 and a molecular weight of 412.33 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
PubChem CID48678587
Molecular FormulaC18H26BrN3O3
Molecular Weight412.33 g/mol
Exact Mass411.12
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
SMILESCCCCOC(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C18H26BrN3O3/c1-3-4-11-25-13(2)18(24)22-9-7-14(8-10-22)17(23)21-16-6-5-15(19)12-20-16/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,20,21,23)
InChIKeyNUSRBPMVLRYXBJ-UHFFFAOYSA-N
XLogP3.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-pentanoylpiperidine-4-carboxamide
CID 55931903
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
1-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 56509260
1-(1-aminocyclopentanecarbonyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856436
N-(5-bromo-2-pyridinyl)-1-(3-methylbutylsulfonyl)piperidine-4-carboxamide
CID 56549938
N-(5-bromo-2-pyridinyl)-1-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxamide
CID 55932037
N-(5-bromo-2-pyridinyl)-1-[2-(2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperidine-4-carboxamide
CID 55932031
methyl 4-[(5-bromo-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 58577910
N-(5-bromo-2-pyridinyl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99593327
1-(2-amino-2-methylpropyl)-N-(5-bromo-2-pyridinyl)piperidine-4-carboxamide
CID 120847825
N-(5-bromo-2-pyridinyl)-1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 55932291

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide (CID 48678587) is N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide is CCCCOC(C)C(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is NUSRBPMVLRYXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrN3O3/c1-3-4-11-25-13(2)18(24)22-9-7-14(8-10-22)17(23)21-16-6-5-15(19)12-20-16/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,20,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 412.33 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 48678587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).