furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone

C19H22N4O3 — CID 109203676

IUPACfuran-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1)N1CCCC1
InChIInChI=1S/C19H22N4O3/c24-18(22-7-1-2-8-22)16-14-15(5-6-20-16)21-9-11-23(12-10-21)19(25)17-4-3-13-26-17/h3-6,13-14H,1-2,7-12H2
InChIKeyDTUIHXDPCRBAQQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.87
Rot. Bonds3

About furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone

furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone (PubChem CID 109203676) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
PubChem CID109203676
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Namefuran-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1)N1CCCC1
InChIInChI=1S/C19H22N4O3/c24-18(22-7-1-2-8-22)16-14-15(5-6-20-16)21-9-11-23(12-10-21)19(25)17-4-3-13-26-17/h3-6,13-14H,1-2,7-12H2
InChIKeyDTUIHXDPCRBAQQ-UHFFFAOYSA-N
XLogP1.87
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
[4-[4-(2-ethylpiperidin-1-yl)pyridine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109216173
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212692
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209058

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone (CID 109203676) is furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone is O=C(c1cc(N2CCN(C(=O)c3ccco3)CC2)ccn1)N1CCCC1.
What is the InChIKey of furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is DTUIHXDPCRBAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(22-7-1-2-8-22)16-14-15(5-6-20-16)21-9-11-23(12-10-21)19(25)17-4-3-13-26-17/h3-6,13-14H,1-2,7-12H2.
What are the key properties of furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 354.41 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 109203676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).