6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

C21H26N4O2 — CID 45212022

IUPAC6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C21H26N4O2/c26-20-10-9-17(16-25(20)15-11-19-7-2-4-13-23-19)21(27)24-14-5-8-18-6-1-3-12-22-18/h1-4,6-7,12-13,17H,5,8-11,14-16H2,(H,24,27)
InChIKeyGHWZEVGWIQZEKE-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.01
Rot. Bonds8

About 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide

6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 45212022) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
PubChem CID45212022
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC Name6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C21H26N4O2/c26-20-10-9-17(16-25(20)15-11-19-7-2-4-13-23-19)21(27)24-14-5-8-18-6-1-3-12-22-18/h1-4,6-7,12-13,17H,5,8-11,14-16H2,(H,24,27)
InChIKeyGHWZEVGWIQZEKE-UHFFFAOYSA-N
XLogP2.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.01
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

(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(3S)-1-cycloheptyl-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 42292351
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 30876883
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42595323
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45225388

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide (CID 45212022) is 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is O=C(NCCCc1ccccn1)C1CCC(=O)N(CCc2ccccn2)C1.
What is the InChIKey of 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
The InChIKey is GHWZEVGWIQZEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-20-10-9-17(16-25(20)15-11-19-7-2-4-13-23-19)21(27)24-14-5-8-18-6-1-3-12-22-18/h1-4,6-7,12-13,17H,5,8-11,14-16H2,(H,24,27).
What are the key properties of 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide?
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45212022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).