N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide

C20H20BrF2N3O3 — CID 55931379

IUPACN-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C20H20BrF2N3O3/c21-15-5-8-17(24-11-15)25-19(28)14-2-1-9-26(12-14)18(27)10-13-3-6-16(7-4-13)29-20(22)23/h3-8,11,14,20H,1-2,9-10,12H2,(H,24,25,28)
InChIKeyFTZSJCJUHOHKBT-UHFFFAOYSA-N
MW468.30 g/mol
LogP3.87
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide (PubChem CID 55931379) has the molecular formula C20H20BrF2N3O3 and a molecular weight of 468.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
PubChem CID55931379
Molecular FormulaC20H20BrF2N3O3
Molecular Weight468.30 g/mol
Exact Mass467.07
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)Cc2ccc(OC(F)F)cc2)C1
InChIInChI=1S/C20H20BrF2N3O3/c21-15-5-8-17(24-11-15)25-19(28)14-2-1-9-26(12-14)18(27)10-13-3-6-16(7-4-13)29-20(22)23/h3-8,11,14,20H,1-2,9-10,12H2,(H,24,25,28)
InChIKeyFTZSJCJUHOHKBT-UHFFFAOYSA-N
XLogP3.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280
1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
1-[2-[4-(difluoromethoxy)phenyl]acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931889
N-(5-bromo-2-pyridinyl)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]piperidine-3-carboxamide
CID 55993827
N-(5-bromo-2-pyridinyl)-1-[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 55930362
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide (CID 55931379) is N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)Cc2ccc(OC(F)F)cc2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
The InChIKey is FTZSJCJUHOHKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrF2N3O3/c21-15-5-8-17(24-11-15)25-19(28)14-2-1-9-26(12-14)18(27)10-13-3-6-16(7-4-13)29-20(22)23/h3-8,11,14,20H,1-2,9-10,12H2,(H,24,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide has a molecular weight of 468.30 g/mol, XLogP of 3.87, 6 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-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55931379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).