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

C19H20BrN3O3 — CID 55815564

IUPACN-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C19H20BrN3O3/c1-26-16-5-2-14(3-6-16)19(25)23-10-8-13(9-11-23)18(24)22-17-7-4-15(20)12-21-17/h2-7,12-13H,8-11H2,1H3,(H,21,22,24)
InChIKeyYGAYAGZSYKILRD-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.34
Rot. Bonds4

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

N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide (PubChem CID 55815564) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
PubChem CID55815564
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
SMILESCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C19H20BrN3O3/c1-26-16-5-2-14(3-6-16)19(25)23-10-8-13(9-11-23)18(24)22-17-7-4-15(20)12-21-17/h2-7,12-13H,8-11H2,1H3,(H,21,22,24)
InChIKeyYGAYAGZSYKILRD-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(4-cyclohexylbenzoyl)piperidine-4-carboxamide
CID 55812799
N-(5-bromo-2-pyridinyl)-1-(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)piperidine-4-carboxamide
CID 55932274
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
N-(5-bromo-2-pyridinyl)-1-(3-phenoxybenzoyl)piperidine-4-carboxamide
CID 55815692
N-(2-bromophenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 1327363
N-(5-bromo-2-pyridinyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-4-carboxamide
CID 55818550
[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 10500522
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
methyl 4-[(5-bromo-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 58577910
N-(5-bromo-2-pyridinyl)-1-(2-butoxypropanoyl)piperidine-4-carboxamide
CID 48678587
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide (CID 55815564) is N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
The InChIKey is YGAYAGZSYKILRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-26-16-5-2-14(3-6-16)19(25)23-10-8-13(9-11-23)18(24)22-17-7-4-15(20)12-21-17/h2-7,12-13H,8-11H2,1H3,(H,21,22,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide has a molecular weight of 418.29 g/mol, XLogP of 3.34, 4 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-(4-methoxybenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55815564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).