1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione

C24H28N4O3 — CID 143079234

IUPAC1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
SMILESO=C(CC(=O)c1cc(N2CCCCC2)ccn1)CC(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C24H28N4O3/c29-20(17-24(31)22-15-19(7-9-26-22)28-12-4-5-13-28)16-23(30)21-14-18(6-8-25-21)27-10-2-1-3-11-27/h6-9,14-15H,1-5,10-13,16-17H2
InChIKeyWFGZDOJSAJCASA-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.48
Rot. Bonds8

About 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione

1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione (PubChem CID 143079234) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione.

Molecular Properties

Compound Name1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
PubChem CID143079234
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione
SMILESO=C(CC(=O)c1cc(N2CCCCC2)ccn1)CC(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C24H28N4O3/c29-20(17-24(31)22-15-19(7-9-26-22)28-12-4-5-13-28)16-23(30)21-14-18(6-8-25-21)27-10-2-1-3-11-27/h6-9,14-15H,1-5,10-13,16-17H2
InChIKeyWFGZDOJSAJCASA-UHFFFAOYSA-N
XLogP3.48
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-(azepan-1-yl)-N-pentylpyridine-2-carboxamide
CID 109217503
4-piperidin-1-ylpyridine-2-carbothioamide
CID 3002239
phenyl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10491030
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-piperidin-1-yl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109204576
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
4-(azepan-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109218647

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione?
The IUPAC name of 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione (CID 143079234) is 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione.
What is the SMILES notation for 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione?
The canonical SMILES for 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione is O=C(CC(=O)c1cc(N2CCCCC2)ccn1)CC(=O)c1cc(N2CCCC2)ccn1.
What is the InChIKey of 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione?
The InChIKey is WFGZDOJSAJCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-20(17-24(31)22-15-19(7-9-26-22)28-12-4-5-13-28)16-23(30)21-14-18(6-8-25-21)27-10-2-1-3-11-27/h6-9,14-15H,1-5,10-13,16-17H2.
What are the key properties of 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione?
1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione has a molecular weight of 420.51 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-yl-2-pyridinyl)-5-(4-pyrrolidin-1-yl-2-pyridinyl)pentane-1,3,5-trione is sourced from PubChem (CID 143079234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).