1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione

C16H23N3O2 — CID 86285047

IUPAC1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
SMILESCN(C)CCC1CCCCN1C(=O)C(=O)c1cccnc1
InChIInChI=1S/C16H23N3O2/c1-18(2)11-8-14-7-3-4-10-19(14)16(21)15(20)13-6-5-9-17-12-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyOPEDEBFPSNBCRF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.60
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione

1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione (PubChem CID 86285047) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
PubChem CID86285047
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
SMILESCN(C)CCC1CCCCN1C(=O)C(=O)c1cccnc1
InChIInChI=1S/C16H23N3O2/c1-18(2)11-8-14-7-3-4-10-19(14)16(21)15(20)13-6-5-9-17-12-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyOPEDEBFPSNBCRF-UHFFFAOYSA-N
XLogP1.60
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
[2-(2-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 79549270
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 161443494
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethane-1,2-dione
CID 110886980
[2-[2-[6-(methylamino)-2-pyridinyl]ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110094495
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 127245086

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione (CID 86285047) is 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione is CN(C)CCC1CCCCN1C(=O)C(=O)c1cccnc1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione?
The InChIKey is OPEDEBFPSNBCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)11-8-14-7-3-4-10-19(14)16(21)15(20)13-6-5-9-17-12-13/h5-6,9,12,14H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione?
1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione has a molecular weight of 289.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione is sourced from PubChem (CID 86285047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).