(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide

C16H22BrN3O2 — CID 95761585

IUPAC(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@@H]2CCCO2)C1
InChIInChI=1S/C16H22BrN3O2/c17-13-5-6-15(18-9-13)19-16(21)12-3-1-7-20(10-12)11-14-4-2-8-22-14/h5-6,9,12,14H,1-4,7-8,10-11H2,(H,18,19,21)/t12-,14+/m1/s1
InChIKeyOFIFYUIAHUQNPE-OCCSQVGLSA-N
MW368.28 g/mol
LogP2.67
Rot. Bonds4

About (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide

(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 95761585) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
PubChem CID95761585
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC Name(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@@H]2CCCO2)C1
InChIInChI=1S/C16H22BrN3O2/c17-13-5-6-15(18-9-13)19-16(21)12-3-1-7-20(10-12)11-14-4-2-8-22-14/h5-6,9,12,14H,1-4,7-8,10-11H2,(H,18,19,21)/t12-,14+/m1/s1
InChIKeyOFIFYUIAHUQNPE-OCCSQVGLSA-N
XLogP2.67
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 78904253
N-(5-bromo-2-pyridinyl)-1-[2-oxo-2-(propylamino)ethyl]piperidine-3-carboxamide
CID 60523047
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
1-[2-(benzylamino)-2-oxoethyl]-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 60523102
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856982
(3S)-N-(5-methyl-2-pyridinyl)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxamide
CID 96567281
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide (CID 95761585) is (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C[C@@H]2CCCO2)C1.
What is the InChIKey of (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is OFIFYUIAHUQNPE-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c17-13-5-6-15(18-9-13)19-16(21)12-3-1-7-20(10-12)11-14-4-2-8-22-14/h5-6,9,12,14H,1-4,7-8,10-11H2,(H,18,19,21)/t12-,14+/m1/s1.
What are the key properties of (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide?
(3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 368.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-bromo-2-pyridinyl)-1-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95761585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).