(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide

C19H22N4O3 — CID 42199281

IUPAC(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C19H22N4O3/c24-18-7-6-15(13-23(18)14-16-4-1-2-9-21-16)19(25)22-10-11-26-17-5-3-8-20-12-17/h1-5,8-9,12,15H,6-7,10-11,13-14H2,(H,22,25)/t15-/m1/s1
InChIKeyYMRHBYLCLGFXFZ-OAHLLOKOSA-N
MW354.41 g/mol
LogP1.41
Rot. Bonds7

About (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide

(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide (PubChem CID 42199281) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
PubChem CID42199281
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C19H22N4O3/c24-18-7-6-15(13-23(18)14-16-4-1-2-9-21-16)19(25)22-10-11-26-17-5-3-8-20-12-17/h1-5,8-9,12,15H,6-7,10-11,13-14H2,(H,22,25)/t15-/m1/s1
InChIKeyYMRHBYLCLGFXFZ-OAHLLOKOSA-N
XLogP1.41
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
CID 45246000
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 24817182
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45169229
methyl 4-[[[(3R)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 42099038
N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72919255
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3S)-6-oxo-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288040
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288091
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904

Frequently Asked Questions

What is the IUPAC name of (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide (CID 42199281) is (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide is O=C(NCCOc1cccnc1)[C@@H]1CCC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
The InChIKey is YMRHBYLCLGFXFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18-7-6-15(13-23(18)14-16-4-1-2-9-21-16)19(25)22-10-11-26-17-5-3-8-20-12-17/h1-5,8-9,12,15H,6-7,10-11,13-14H2,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide?
(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42199281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).